Browse entries in the PDBbind-CN Database
HEADER 5WGD_COMPLEX COMPND 5WGD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 153 LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU LEU SEQRES 2 A 153 ASP ALA GLU PRO PRO ILE LEU TYR SER GLU TYR ASP PRO SEQRES 3 A 153 THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU LEU SEQRES 4 A 153 THR ASN LEU ALA ASP ARG GLU LEU VAL HIS MET ILE ASN SEQRES 5 A 153 TRP ALA LYS ARG VAL PRO GLY PHE VAL ASP LEU THR LEU SEQRES 6 A 153 HIS ASP GLN VAL HIS LEU LEU GLU CYS ALA TRP LEU GLU SEQRES 7 A 153 ILE LEU MET ILE GLY LEU VAL TRP ARG SER MET GLU HIS SEQRES 8 A 153 PRO GLY LYS LEU LEU PHE ALA PRO ASN LEU LEU LEU ASP SEQRES 9 A 153 ARG ASN GLN GLY LYS CYS VAL GLU GLY MET VAL GLU ILE SEQRES 10 A 153 PHE ASP MET LEU LEU ALA THR SER SER ARG PHE ARG MET SEQRES 11 A 153 MET ASN LEU GLN GLY GLU GLU PHE VAL CYS LEU LYS SER SEQRES 12 A 153 ILE ILE LEU LEU ASN SER GLY VAL TYR THR SEQRES 1 A 75 ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE THR ASP THR SEQRES 2 A 75 LEU ILE HIS LEU MET ALA LYS ALA GLY LEU THR LEU GLN SEQRES 3 A 75 GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU LEU ILE LEU SEQRES 4 A 75 SER HIS ILE ARG HIS MET SER ASN LYS GLY MET GLU HIS SEQRES 5 A 75 LEU TYR SER MET LYS CYS LYS ASN VAL VAL PRO LEU SER SEQRES 6 A 75 ASP LEU LEU LEU GLU MET LEU ASP ALA HIS HET ACE A 458 198 ATOM 1 N LEU A 308 37.140 18.149 56.013 1.00 54.44 N ATOM 2 CA LEU A 308 35.849 17.955 56.658 1.00 55.51 C ATOM 3 C LEU A 308 34.712 17.840 55.675 1.00 56.65 C ATOM 4 O LEU A 308 33.722 17.236 55.953 1.00 58.20 O ATOM 5 CB LEU A 308 35.578 19.081 57.615 1.00 59.61 C ATOM 6 CG LEU A 308 36.639 19.274 58.659 1.00 59.77 C ATOM 7 CD1 LEU A 308 36.106 20.196 59.713 1.00 63.80 C ATOM 8 CD2 LEU A 308 37.012 17.954 59.264 1.00 55.67 C ATOM 9 HN3 LEU A 308 37.117 19.024 55.451 1.00 0.00 H ATOM 10 HN2 LEU A 308 37.340 17.340 55.390 1.00 0.00 H ATOM 11 HN1 LEU A 308 37.881 18.221 56.739 1.00 0.00 H ATOM 12 N SER A 309 34.922 18.403 54.502 1.00 57.61 N ATOM 13 CA SER A 309 34.025 18.351 53.361 1.00 58.81 C ATOM 14 C SER A 309 33.907 17.004 52.696 1.00 53.28 C ATOM 15 O SER A 309 32.934 16.708 52.045 1.00 55.13 O ATOM 16 CB SER A 309 34.532 19.343 52.312 1.00 62.95 C ATOM 17 H SER A 309 35.810 18.932 54.383 1.00 0.00 H ATOM 18 N LEU A 310 34.923 16.189 52.859 1.00 50.95 N ATOM 19 CA LEU A 310 34.982 14.951 52.146 1.00 46.45 C ATOM 20 C LEU A 310 33.901 13.998 52.596 1.00 44.35 C ATOM 21 O LEU A 310 33.567 13.925 53.738 1.00 45.54 O ATOM 22 CB LEU A 310 36.369 14.340 52.285 1.00 43.21 C ATOM 23 H LEU A 310 35.691 16.446 53.512 1.00 0.00 H ATOM 24 N THR A 311 33.351 13.292 51.644 1.00 39.16 N ATOM 25 CA THR A 311 32.409 12.214 51.918 1.00 38.03 C ATOM 26 C THR A 311 33.181 10.967 52.327 1.00 33.93 C ATOM 27 O THR A 311 34.406 10.918 52.197 1.00 31.42 O ATOM 28 CB THR A 311 31.527 11.872 50.704 1.00 40.19 C ATOM 29 OG1 THR A 311 32.321 11.213 49.707 1.00 38.73 O ATOM 30 CG2 THR A 311 30.886 13.128 50.120 1.00 42.27 C ATOM 31 HG1 THR A 311 33.056 11.812 49.423 1.00 0.00 H ATOM 32 H THR A 311 33.594 13.507 50.656 1.00 0.00 H ATOM 33 N ALA A 312 32.461 9.959 52.806 1.00 35.39 N ATOM 34 CA ALA A 312 33.081 8.700 53.201 1.00 34.84 C ATOM 35 C ALA A 312 33.794 8.034 52.024 1.00 32.53 C ATOM 36 O ALA A 312 34.937 7.596 52.152 1.00 29.54 O ATOM 37 CB ALA A 312 32.039 7.761 53.788 1.00 36.79 C ATOM 38 H ALA A 312 31.431 10.070 52.901 1.00 0.00 H ATOM 39 N ASP A 313 33.117 7.961 50.879 1.00 30.52 N ATOM 40 CA ASP A 313 33.693 7.326 49.693 1.00 33.83 C ATOM 41 C ASP A 313 34.909 8.095 49.182 1.00 32.55 C ATOM 42 O ASP A 313 35.881 7.497 48.717 1.00 31.26 O ATOM 43 CB ASP A 313 32.649 7.198 48.578 1.00 39.70 C ATOM 44 CG ASP A 313 31.699 6.032 48.797 1.00 43.89 C ATOM 45 OD1 ASP A 313 32.141 4.987 49.325 1.00 43.05 O ATOM 46 OD2 ASP A 313 30.507 6.166 48.443 1.00 46.15 O ATOM 47 H ASP A 313 32.159 8.364 50.827 1.00 0.00 H ATOM 48 N GLN A 314 34.852 9.420 49.274 1.00 31.59 N ATOM 49 CA GLN A 314 35.982 10.255 48.873 1.00 31.87 C ATOM 50 C GLN A 314 37.165 10.070 49.814 1.00 30.69 C ATOM 51 O GLN A 314 38.319 10.076 49.384 1.00 25.99 O ATOM 52 CB GLN A 314 35.578 11.729 48.834 1.00 34.87 C ATOM 53 CG GLN A 314 34.736 12.122 47.633 1.00 37.68 C ATOM 54 CD GLN A 314 34.127 13.496 47.798 1.00 39.59 C ATOM 55 OE1 GLN A 314 33.826 13.918 48.913 1.00 43.06 O ATOM 56 NE2 GLN A 314 33.950 14.206 46.691 1.00 46.58 N ATOM 57 HE22 GLN A 314 34.220 13.808 45.769 1.00 0.00 H ATOM 58 HE21 GLN A 314 33.542 15.161 46.745 1.00 0.00 H ATOM 59 H GLN A 314 33.988 9.870 49.638 1.00 0.00 H ATOM 60 N MET A 315 36.869 9.914 51.102 1.00 29.82 N ATOM 61 CA MET A 315 37.895 9.685 52.114 1.00 27.80 C ATOM 62 C MET A 315 38.638 8.375 51.843 1.00 23.44 C ATOM 63 O MET A 315 39.870 8.339 51.845 1.00 22.52 O ATOM 64 CB MET A 315 37.272 9.674 53.515 1.00 29.97 C ATOM 65 CG MET A 315 38.225 9.264 54.635 1.00 29.87 C ATOM 66 SD MET A 315 39.581 10.432 54.876 1.00 37.41 S ATOM 67 CE MET A 315 38.699 11.862 55.476 1.00 38.15 C ATOM 68 H MET A 315 35.873 9.957 51.397 1.00 0.00 H ATOM 69 N VAL A 316 37.880 7.310 51.594 1.00 23.85 N ATOM 70 CA VAL A 316 38.450 6.001 51.279 1.00 27.07 C ATOM 71 C VAL A 316 39.334 6.062 50.037 1.00 28.36 C ATOM 72 O VAL A 316 40.462 5.558 50.048 1.00 22.97 O ATOM 73 CB VAL A 316 37.352 4.933 51.057 1.00 29.44 C ATOM 74 CG1 VAL A 316 37.955 3.638 50.547 1.00 27.94 C ATOM 75 CG2 VAL A 316 36.592 4.683 52.336 1.00 28.86 C ATOM 76 H VAL A 316 36.846 7.412 51.625 1.00 0.00 H ATOM 77 N SER A 317 38.819 6.679 48.974 1.00 26.29 N ATOM 78 CA SER A 317 39.572 6.818 47.729 1.00 29.28 C ATOM 79 C SER A 317 40.868 7.590 47.944 1.00 28.49 C ATOM 80 O SER A 317 41.917 7.200 47.433 1.00 30.54 O ATOM 81 CB SER A 317 38.730 7.516 46.661 1.00 33.43 C ATOM 82 OG SER A 317 37.487 6.858 46.505 1.00 38.15 O ATOM 83 HG SER A 317 36.996 6.874 47.365 1.00 0.00 H ATOM 84 H SER A 317 37.858 7.071 49.032 1.00 0.00 H ATOM 85 N ALA A 318 40.784 8.687 48.690 1.00 28.05 N ATOM 86 CA ALA A 318 41.964 9.475 49.028 1.00 28.38 C ATOM 87 C ALA A 318 43.021 8.606 49.702 1.00 22.58 C ATOM 88 O ALA A 318 44.185 8.607 49.300 1.00 20.35 O ATOM 89 CB ALA A 318 41.588 10.642 49.928 1.00 29.45 C ATOM 90 H ALA A 318 39.854 8.991 49.041 1.00 0.00 H ATOM 91 N LEU A 319 42.609 7.856 50.717 1.00 21.59 N ATOM 92 CA LEU A 319 43.545 7.039 51.478 1.00 21.78 C ATOM 93 C LEU A 319 44.105 5.885 50.645 1.00 21.44 C ATOM 94 O LEU A 319 45.299 5.590 50.716 1.00 20.95 O ATOM 95 CB LEU A 319 42.878 6.506 52.747 1.00 20.03 C ATOM 96 CG LEU A 319 42.428 7.565 53.755 1.00 20.62 C ATOM 97 CD1 LEU A 319 41.983 6.913 55.053 1.00 22.05 C ATOM 98 CD2 LEU A 319 43.539 8.574 54.013 1.00 24.20 C ATOM 99 H LEU A 319 41.601 7.852 50.973 1.00 0.00 H ATOM 100 N LEU A 320 43.253 5.236 49.856 1.00 20.80 N ATOM 101 CA LEU A 320 43.726 4.152 48.999 1.00 22.68 C ATOM 102 C LEU A 320 44.742 4.675 47.980 1.00 23.95 C ATOM 103 O LEU A 320 45.765 4.036 47.725 1.00 23.18 O ATOM 104 CB LEU A 320 42.554 3.467 48.290 1.00 23.69 C ATOM 105 CG LEU A 320 41.675 2.567 49.165 1.00 23.60 C ATOM 106 CD1 LEU A 320 40.455 2.080 48.401 1.00 24.37 C ATOM 107 CD2 LEU A 320 42.455 1.378 49.729 1.00 24.11 C ATOM 108 H LEU A 320 42.247 5.501 49.849 1.00 0.00 H ATOM 109 N ASP A 321 44.459 5.844 47.412 1.00 22.65 N ATOM 110 CA ASP A 321 45.346 6.470 46.431 1.00 28.96 C ATOM 111 C ASP A 321 46.722 6.808 46.998 1.00 25.87 C ATOM 112 O ASP A 321 47.721 6.766 46.278 1.00 24.94 O ATOM 113 CB ASP A 321 44.712 7.750 45.880 1.00 34.03 C ATOM 114 CG ASP A 321 43.752 7.486 44.738 1.00 43.12 C ATOM 115 OD1 ASP A 321 43.541 6.304 44.390 1.00 43.96 O ATOM 116 OD2 ASP A 321 43.202 8.466 44.191 1.00 48.52 O ATOM 117 H ASP A 321 43.577 6.330 47.674 1.00 0.00 H ATOM 118 N ALA A 322 46.757 7.154 48.283 1.00 20.81 N ATOM 119 CA ALA A 322 47.972 7.645 48.932 1.00 21.41 C ATOM 120 C ALA A 322 48.914 6.532 49.382 1.00 21.69 C ATOM 121 O ALA A 322 50.022 6.809 49.847 1.00 21.59 O ATOM 122 CB ALA A 322 47.606 8.518 50.129 1.00 20.67 C ATOM 123 H ALA A 322 45.887 7.072 48.847 1.00 0.00 H ATOM 124 N GLU A 323 48.474 5.284 49.247 1.00 20.49 N ATOM 125 CA GLU A 323 49.220 4.138 49.773 1.00 18.43 C ATOM 126 C GLU A 323 50.636 4.061 49.215 1.00 18.03 C ATOM 127 O GLU A 323 50.830 4.170 48.007 1.00 17.75 O ATOM 128 CB GLU A 323 48.474 2.836 49.468 1.00 20.19 C ATOM 129 CG GLU A 323 47.442 2.470 50.520 1.00 21.81 C ATOM 130 CD GLU A 323 48.089 2.187 51.859 1.00 26.03 C ATOM 131 OE1 GLU A 323 48.544 1.041 52.082 1.00 28.56 O ATOM 132 OE2 GLU A 323 48.164 3.116 52.693 1.00 25.68 O ATOM 133 H GLU A 323 47.574 5.117 48.754 1.00 0.00 H ATOM 134 N PRO A 324 51.627 3.889 50.100 1.00 15.95 N ATOM 135 CA PRO A 324 53.017 3.742 49.672 1.00 18.13 C ATOM 136 C PRO A 324 53.265 2.379 49.052 1.00 19.33 C ATOM 137 O PRO A 324 52.519 1.435 49.310 1.00 19.13 O ATOM 138 CB PRO A 324 53.802 3.896 50.977 1.00 19.00 C ATOM 139 CG PRO A 324 52.855 3.445 52.016 1.00 18.41 C ATOM 140 CD PRO A 324 51.509 3.892 51.568 1.00 16.48 C ATOM 141 N PRO A 325 54.312 2.273 48.234 1.00 20.97 N ATOM 142 CA PRO A 325 54.668 0.980 47.650 1.00 22.51 C ATOM 143 C PRO A 325 55.275 0.018 48.655 1.00 22.56 C ATOM 144 O PRO A 325 55.723 0.434 49.725 1.00 20.54 O ATOM 145 CB PRO A 325 55.701 1.353 46.596 1.00 23.09 C ATOM 146 CG PRO A 325 56.284 2.637 47.073 1.00 23.75 C ATOM 147 CD PRO A 325 55.157 3.366 47.730 1.00 21.00 C ATOM 148 N ILE A 326 55.284 -1.262 48.305 1.00 20.07 N ATOM 149 CA ILE A 326 56.026 -2.250 49.068 1.00 22.30 C ATOM 150 C ILE A 326 57.459 -2.290 48.551 1.00 22.32 C ATOM 151 O ILE A 326 57.699 -2.569 47.378 1.00 20.62 O ATOM 152 CB ILE A 326 55.385 -3.642 48.977 1.00 26.35 C ATOM 153 CG1 ILE A 326 53.989 -3.607 49.600 1.00 28.91 C ATOM 154 CG2 ILE A 326 56.251 -4.676 49.684 1.00 25.47 C ATOM 155 CD1 ILE A 326 53.259 -4.935 49.558 1.00 33.93 C ATOM 156 H ILE A 326 54.748 -1.564 47.466 1.00 0.00 H ATOM 157 N LEU A 327 58.407 -1.985 49.428 1.00 19.29 N ATOM 158 CA LEU A 327 59.808 -1.902 49.042 1.00 18.42 C ATOM 159 C LEU A 327 60.524 -3.235 49.217 1.00 17.93 C ATOM 160 O LEU A 327 60.066 -4.101 49.960 1.00 16.75 O ATOM 161 CB LEU A 327 60.517 -0.823 49.861 1.00 21.30 C ATOM 162 CG LEU A 327 59.909 0.579 49.820 1.00 21.28 C ATOM 163 CD1 LEU A 327 60.753 1.527 50.644 1.00 21.78 C ATOM 164 CD2 LEU A 327 59.797 1.075 48.385 1.00 21.09 C ATOM 165 H LEU A 327 58.142 -1.801 50.417 1.00 0.00 H ATOM 166 N TYR A 328 61.655 -3.394 48.536 1.00 16.46 N ATOM 167 CA TYR A 328 62.461 -4.591 48.713 1.00 16.97 C ATOM 168 C TYR A 328 63.591 -4.335 49.698 1.00 16.67 C ATOM 169 O TYR A 328 64.068 -3.209 49.831 1.00 17.75 O ATOM 170 CB TYR A 328 63.009 -5.074 47.369 1.00 21.87 C ATOM 171 CG TYR A 328 62.001 -5.901 46.611 1.00 25.17 C ATOM 172 CD1 TYR A 328 60.884 -5.311 46.032 1.00 25.62 C ATOM 173 CD2 TYR A 328 62.151 -7.275 46.496 1.00 26.59 C ATOM 174 CE1 TYR A 328 59.952 -6.065 45.351 1.00 26.25 C ATOM 175 CE2 TYR A 328 61.226 -8.039 45.814 1.00 26.28 C ATOM 176 CZ TYR A 328 60.127 -7.429 45.244 1.00 26.29 C ATOM 177 OH TYR A 328 59.200 -8.185 44.566 1.00 27.84 O ATOM 178 HH TYR A 328 58.811 -8.857 45.180 1.00 0.00 H ATOM 179 H TYR A 328 61.965 -2.656 47.872 1.00 0.00 H ATOM 180 N SER A 329 64.005 -5.377 50.407 1.00 17.61 N ATOM 181 CA SER A 329 65.145 -5.235 51.297 1.00 19.20 C ATOM 182 C SER A 329 66.431 -5.418 50.515 1.00 20.20 C ATOM 183 O SER A 329 66.421 -5.834 49.353 1.00 20.58 O ATOM 184 CB SER A 329 65.083 -6.241 52.449 1.00 21.09 C ATOM 185 OG SER A 329 65.439 -7.539 52.013 1.00 20.58 O ATOM 186 HG SER A 329 64.813 -7.831 51.304 1.00 0.00 H ATOM 187 H SER A 329 63.516 -6.291 50.326 1.00 0.00 H ATOM 188 N GLU A 330 67.550 -5.110 51.152 1.00 18.35 N ATOM 189 CA GLU A 330 68.839 -5.358 50.528 1.00 26.04 C ATOM 190 C GLU A 330 69.378 -6.737 50.918 1.00 26.54 C ATOM 191 O GLU A 330 70.593 -6.929 51.046 1.00 26.44 O ATOM 192 CB GLU A 330 69.827 -4.250 50.895 1.00 34.29 C ATOM 193 CG GLU A 330 69.982 -3.218 49.780 1.00 44.40 C ATOM 194 CD GLU A 330 70.341 -1.831 50.283 1.00 54.72 C ATOM 195 OE1 GLU A 330 70.816 -1.709 51.432 1.00 57.91 O ATOM 196 OE2 GLU A 330 70.139 -0.858 49.521 1.00 59.60 O ATOM 197 H GLU A 330 67.507 -4.689 52.102 1.00 0.00 H ATOM 198 N TYR A 331 68.469 -7.698 51.086 1.00 26.20 N ATOM 199 CA TYR A 331 68.855 -9.057 51.468 1.00 25.63 C ATOM 200 C TYR A 331 69.872 -9.658 50.504 1.00 25.31 C ATOM 201 O TYR A 331 69.706 -9.600 49.285 1.00 26.51 O ATOM 202 CB TYR A 331 67.635 -9.977 51.553 1.00 23.44 C ATOM 203 CG TYR A 331 67.998 -11.427 51.804 1.00 27.08 C ATOM 204 CD1 TYR A 331 68.712 -11.796 52.937 1.00 29.58 C ATOM 205 CD2 TYR A 331 67.626 -12.427 50.911 1.00 27.41 C ATOM 206 CE1 TYR A 331 69.051 -13.122 53.175 1.00 29.64 C ATOM 207 CE2 TYR A 331 67.956 -13.756 51.144 1.00 29.99 C ATOM 208 CZ TYR A 331 68.670 -14.095 52.277 1.00 29.41 C ATOM 209 OH TYR A 331 69.007 -15.409 52.521 1.00 29.36 O ATOM 210 HH TYR A 331 69.513 -15.467 53.370 1.00 0.00 H ATOM 211 H TYR A 331 67.463 -7.477 50.942 1.00 0.00 H ATOM 212 N ASP A 332 70.923 -10.233 51.076 1.00 25.40 N ATOM 213 CA ASP A 332 72.009 -10.836 50.316 1.00 26.89 C ATOM 214 C ASP A 332 72.082 -12.325 50.629 1.00 28.76 C ATOM 215 O ASP A 332 72.565 -12.718 51.692 1.00 26.30 O ATOM 216 CB ASP A 332 73.331 -10.134 50.644 1.00 33.49 C ATOM 217 CG ASP A 332 74.538 -10.774 49.968 1.00 42.84 C ATOM 218 OD1 ASP A 332 74.370 -11.645 49.086 1.00 45.83 O ATOM 219 OD2 ASP A 332 75.672 -10.382 50.319 1.00 45.31 O ATOM 220 H ASP A 332 70.973 -10.254 52.115 1.00 0.00 H ATOM 221 N PRO A 333 71.609 -13.162 49.698 1.00 29.12 N ATOM 222 CA PRO A 333 71.529 -14.593 49.999 1.00 30.26 C ATOM 223 C PRO A 333 72.877 -15.314 49.934 1.00 30.48 C ATOM 224 O PRO A 333 72.896 -16.532 50.071 1.00 23.82 O ATOM 225 CB PRO A 333 70.576 -15.122 48.920 1.00 30.50 C ATOM 226 CG PRO A 333 70.780 -14.199 47.760 1.00 34.05 C ATOM 227 CD PRO A 333 71.120 -12.844 48.342 1.00 32.18 C ATOM 228 N THR A 334 73.981 -14.594 49.744 1.00 24.72 N ATOM 229 CA THR A 334 75.282 -15.253 49.622 1.00 26.61 C ATOM 230 C THR A 334 75.922 -15.552 50.975 1.00 25.77 C ATOM 231 O THR A 334 76.879 -16.323 51.053 1.00 27.03 O ATOM 232 CB THR A 334 76.280 -14.412 48.796 1.00 29.80 C ATOM 233 OG1 THR A 334 76.582 -13.197 49.497 1.00 28.89 O ATOM 234 CG2 THR A 334 75.707 -14.094 47.417 1.00 32.95 C ATOM 235 HG1 THR A 334 75.749 -12.680 49.633 1.00 0.00 H ATOM 236 H THR A 334 73.918 -13.558 49.682 1.00 0.00 H ATOM 237 N ARG A 335 75.392 -14.945 52.032 1.00 24.00 N ATOM 238 CA ARG A 335 75.973 -15.090 53.367 1.00 27.89 C ATOM 239 C ARG A 335 74.915 -15.391 54.426 1.00 23.12 C ATOM 240 O ARG A 335 73.763 -14.982 54.292 1.00 21.91 O ATOM 241 CB ARG A 335 76.743 -13.821 53.749 1.00 30.28 C ATOM 242 H ARG A 335 74.545 -14.354 51.907 1.00 0.00 H ATOM 243 N PRO A 336 75.305 -16.121 55.486 1.00 26.38 N ATOM 244 CA PRO A 336 74.391 -16.371 56.609 1.00 25.51 C ATOM 245 C PRO A 336 74.071 -15.077 57.347 1.00 23.45 C ATOM 246 O PRO A 336 74.821 -14.109 57.215 1.00 22.10 O ATOM 247 CB PRO A 336 75.168 -17.338 57.518 1.00 28.83 C ATOM 248 CG PRO A 336 76.547 -17.431 56.970 1.00 32.09 C ATOM 249 CD PRO A 336 76.664 -16.614 55.733 1.00 30.12 C ATOM 250 N PHE A 337 72.961 -15.056 58.080 1.00 20.81 N ATOM 251 CA PHE A 337 72.610 -13.915 58.915 1.00 21.13 C ATOM 252 C PHE A 337 73.513 -13.824 60.134 1.00 24.94 C ATOM 253 O PHE A 337 73.917 -14.840 60.704 1.00 27.71 O ATOM 254 CB PHE A 337 71.155 -14.005 59.394 1.00 29.42 C ATOM 255 CG PHE A 337 70.132 -13.673 58.342 1.00 29.37 C ATOM 256 CD1 PHE A 337 70.011 -12.381 57.856 1.00 30.25 C ATOM 257 CD2 PHE A 337 69.258 -14.643 57.880 1.00 27.95 C ATOM 258 CE1 PHE A 337 69.058 -12.072 56.898 1.00 29.28 C ATOM 259 CE2 PHE A 337 68.303 -14.343 56.926 1.00 28.37 C ATOM 260 CZ PHE A 337 68.201 -13.053 56.435 1.00 27.14 C ATOM 261 H PHE A 337 72.325 -15.879 58.056 1.00 0.00 H ATOM 262 N SER A 338 73.820 -12.598 60.536 1.00 23.94 N ATOM 263 CA SER A 338 74.341 -12.352 61.869 1.00 26.17 C ATOM 264 C SER A 338 73.374 -11.392 62.551 1.00 26.85 C ATOM 265 O SER A 338 72.453 -10.884 61.910 1.00 25.34 O ATOM 266 CB SER A 338 75.751 -11.773 61.823 1.00 27.99 C ATOM 267 OG SER A 338 75.730 -10.444 61.337 1.00 28.41 O ATOM 268 HG SER A 338 76.653 -10.087 61.315 1.00 0.00 H ATOM 269 H SER A 338 73.685 -11.798 59.885 1.00 0.00 H ATOM 270 N GLU A 339 73.566 -11.149 63.843 1.00 18.80 N ATOM 271 CA GLU A 339 72.719 -10.191 64.542 1.00 19.77 C ATOM 272 C GLU A 339 72.846 -8.824 63.881 1.00 16.40 C ATOM 273 O GLU A 339 71.850 -8.145 63.636 1.00 15.60 O ATOM 274 CB GLU A 339 73.094 -10.107 66.021 1.00 19.80 C ATOM 275 CG GLU A 339 72.416 -8.977 66.782 1.00 23.47 C ATOM 276 CD GLU A 339 72.781 -8.979 68.257 1.00 30.90 C ATOM 277 OE1 GLU A 339 73.927 -8.603 68.588 1.00 33.66 O ATOM 278 OE2 GLU A 339 71.928 -9.368 69.084 1.00 31.71 O ATOM 279 H GLU A 339 74.323 -11.644 64.357 1.00 0.00 H ATOM 280 N ALA A 340 74.080 -8.452 63.567 1.00 16.45 N ATOM 281 CA ALA A 340 74.359 -7.172 62.943 1.00 20.72 C ATOM 282 C ALA A 340 73.768 -7.090 61.543 1.00 19.45 C ATOM 283 O ALA A 340 73.168 -6.079 61.180 1.00 18.50 O ATOM 284 CB ALA A 340 75.861 -6.927 62.901 1.00 17.65 C ATOM 285 H ALA A 340 74.870 -9.096 63.774 1.00 0.00 H ATOM 286 N SER A 341 73.917 -8.152 60.756 1.00 16.24 N ATOM 287 CA SER A 341 73.476 -8.083 59.365 1.00 20.77 C ATOM 288 C SER A 341 71.944 -8.066 59.273 1.00 17.84 C ATOM 289 O SER A 341 71.387 -7.398 58.405 1.00 15.66 O ATOM 290 CB SER A 341 74.059 -9.234 58.537 1.00 20.41 C ATOM 291 OG SER A 341 73.445 -10.472 58.828 1.00 20.99 O ATOM 292 HG SER A 341 73.854 -11.181 58.271 1.00 0.00 H ATOM 293 H SER A 341 74.344 -9.024 61.128 1.00 0.00 H ATOM 294 N MET A 342 71.255 -8.774 60.160 1.00 18.92 N ATOM 295 CA MET A 342 69.795 -8.715 60.129 1.00 17.38 C ATOM 296 C MET A 342 69.300 -7.344 60.587 1.00 15.80 C ATOM 297 O MET A 342 68.401 -6.775 59.972 1.00 14.92 O ATOM 298 CB MET A 342 69.162 -9.809 60.981 1.00 14.77 C ATOM 299 CG MET A 342 67.634 -9.774 60.957 1.00 17.79 C ATOM 300 SD MET A 342 66.937 -11.156 61.871 1.00 64.23 S ATOM 301 CE MET A 342 67.241 -12.496 60.724 1.00 17.78 C ATOM 302 H MET A 342 71.746 -9.361 60.865 1.00 0.00 H ATOM 303 N MET A 343 69.885 -6.809 61.657 1.00 14.69 N ATOM 304 CA MET A 343 69.518 -5.460 62.097 1.00 15.23 C ATOM 305 C MET A 343 69.788 -4.448 60.993 1.00 14.80 C ATOM 306 O MET A 343 69.010 -3.513 60.800 1.00 15.39 O ATOM 307 CB MET A 343 70.270 -5.058 63.369 1.00 17.59 C ATOM 308 CG MET A 343 69.667 -5.603 64.661 1.00 18.49 C ATOM 309 SD MET A 343 67.903 -5.248 64.874 1.00 16.87 S ATOM 310 CE MET A 343 67.852 -3.453 64.767 1.00 17.09 C ATOM 311 H MET A 343 70.603 -7.349 62.181 1.00 0.00 H ATOM 312 N GLY A 344 70.887 -4.646 60.269 1.00 14.57 N ATOM 313 CA GLY A 344 71.218 -3.803 59.135 1.00 17.32 C ATOM 314 C GLY A 344 70.141 -3.813 58.062 1.00 17.27 C ATOM 315 O GLY A 344 69.734 -2.761 57.570 1.00 16.06 O ATOM 316 H GLY A 344 71.526 -5.426 60.523 1.00 0.00 H ATOM 317 N LEU A 345 69.681 -5.005 57.698 1.00 13.60 N ATOM 318 CA LEU A 345 68.613 -5.143 56.713 1.00 17.67 C ATOM 319 C LEU A 345 67.344 -4.443 57.158 1.00 16.67 C ATOM 320 O LEU A 345 66.739 -3.693 56.395 1.00 14.73 O ATOM 321 CB LEU A 345 68.292 -6.613 56.450 1.00 20.63 C ATOM 322 CG LEU A 345 69.312 -7.504 55.752 1.00 24.67 C ATOM 323 CD1 LEU A 345 68.644 -8.820 55.401 1.00 23.57 C ATOM 324 CD2 LEU A 345 69.868 -6.822 54.513 1.00 27.69 C ATOM 325 H LEU A 345 70.092 -5.860 58.125 1.00 0.00 H ATOM 326 N LEU A 346 66.934 -4.704 58.393 1.00 11.96 N ATOM 327 CA LEU A 346 65.669 -4.175 58.884 1.00 14.72 C ATOM 328 C LEU A 346 65.695 -2.657 59.008 1.00 15.95 C ATOM 329 O LEU A 346 64.708 -1.987 58.686 1.00 14.36 O ATOM 330 CB LEU A 346 65.314 -4.804 60.233 1.00 14.52 C ATOM 331 CG LEU A 346 65.080 -6.314 60.229 1.00 14.31 C ATOM 332 CD1 LEU A 346 64.764 -6.800 61.641 1.00 15.92 C ATOM 333 CD2 LEU A 346 63.963 -6.691 59.268 1.00 16.89 C ATOM 334 H LEU A 346 67.522 -5.293 59.017 1.00 0.00 H ATOM 335 N THR A 347 66.822 -2.104 59.456 1.00 14.36 N ATOM 336 CA THR A 347 66.895 -0.656 59.636 1.00 14.78 C ATOM 337 C THR A 347 67.102 0.066 58.303 1.00 15.37 C ATOM 338 O THR A 347 66.632 1.191 58.131 1.00 14.64 O ATOM 339 CB THR A 347 68.011 -0.233 60.629 1.00 16.55 C ATOM 340 OG1 THR A 347 69.273 -0.770 60.214 1.00 17.00 O ATOM 341 CG2 THR A 347 67.692 -0.710 62.042 1.00 16.46 C ATOM 342 HG1 THR A 347 69.218 -1.758 60.190 1.00 0.00 H ATOM 343 H THR A 347 67.645 -2.700 59.676 1.00 0.00 H ATOM 344 N ASN A 348 67.798 -0.576 57.366 1.00 15.61 N ATOM 345 CA ASN A 348 67.926 -0.036 56.014 1.00 16.43 C ATOM 346 C ASN A 348 66.557 0.041 55.337 1.00 16.04 C ATOM 347 O ASN A 348 66.238 1.027 54.669 1.00 16.94 O ATOM 348 CB ASN A 348 68.881 -0.883 55.165 1.00 19.81 C ATOM 349 CG ASN A 348 68.920 -0.439 53.708 1.00 25.86 C ATOM 350 OD1 ASN A 348 68.108 -0.877 52.889 1.00 28.28 O ATOM 351 ND2 ASN A 348 69.869 0.433 53.379 1.00 29.57 N ATOM 352 HD22 ASN A 348 70.533 0.776 54.102 1.00 0.00 H ATOM 353 HD21 ASN A 348 69.947 0.772 52.399 1.00 0.00 H ATOM 354 H ASN A 348 68.259 -1.478 57.601 1.00 0.00 H ATOM 355 N LEU A 349 65.759 -1.010 55.514 1.00 15.73 N ATOM 356 CA LEU A 349 64.389 -1.036 55.011 1.00 15.73 C ATOM 357 C LEU A 349 63.544 0.062 55.644 1.00 13.34 C ATOM 358 O LEU A 349 62.883 0.816 54.942 1.00 12.64 O ATOM 359 CB LEU A 349 63.741 -2.398 55.269 1.00 15.08 C ATOM 360 CG LEU A 349 62.305 -2.582 54.782 1.00 16.42 C ATOM 361 CD1 LEU A 349 62.236 -2.458 53.267 1.00 16.55 C ATOM 362 CD2 LEU A 349 61.769 -3.928 55.239 1.00 19.49 C ATOM 363 H LEU A 349 66.123 -1.838 56.027 1.00 0.00 H ATOM 364 N ALA A 350 63.544 0.145 56.963 1.00 12.03 N ATOM 365 CA ALA A 350 62.792 1.186 57.670 1.00 15.42 C ATOM 366 C ALA A 350 63.101 2.590 57.164 1.00 14.91 C ATOM 367 O ALA A 350 62.266 3.389 57.001 1.00 12.35 O ATOM 368 CB ALA A 350 63.037 1.114 59.171 1.00 14.55 C ATOM 369 H ALA A 350 64.092 -0.546 57.514 1.00 0.00 H ATOM 370 N ASP A 351 64.390 2.835 57.005 1.00 13.56 N ATOM 371 CA ASP A 351 64.844 4.109 56.539 1.00 16.35 C ATOM 372 C ASP A 351 64.270 4.489 55.174 1.00 14.74 C ATOM 373 O ASP A 351 63.870 5.576 54.985 1.00 14.72 O ATOM 374 CB ASP A 351 66.346 4.161 56.518 1.00 23.48 C ATOM 375 CG ASP A 351 66.834 5.491 56.123 1.00 36.08 C ATOM 376 OD1 ASP A 351 66.926 6.365 56.971 1.00 36.15 O ATOM 377 OD2 ASP A 351 67.061 5.671 54.928 1.00 44.18 O ATOM 378 H ASP A 351 65.084 2.091 57.222 1.00 0.00 H ATOM 379 N ARG A 352 64.288 3.563 54.232 1.00 15.25 N ATOM 380 CA ARG A 352 63.695 3.843 52.921 1.00 16.00 C ATOM 381 C ARG A 352 62.175 4.010 52.974 1.00 14.42 C ATOM 382 O ARG A 352 61.625 4.771 52.265 1.00 14.97 O ATOM 383 CB ARG A 352 64.056 2.782 51.886 1.00 17.75 C ATOM 384 CG ARG A 352 65.464 2.955 51.364 1.00 21.98 C ATOM 385 CD ARG A 352 65.883 1.943 50.352 1.00 25.84 C ATOM 386 NE ARG A 352 66.143 0.670 50.948 1.00 24.81 N ATOM 387 CZ ARG A 352 65.548 -0.449 50.626 1.00 24.45 C ATOM 388 NH1 ARG A 352 64.655 -0.476 49.689 1.00 22.27 N ATOM 389 NH2 ARG A 352 65.855 -1.532 51.274 1.00 23.45 N ATOM 390 HE ARG A 352 66.863 0.631 51.698 1.00 0.00 H ATOM 391 HH12 ARG A 352 64.188 -1.372 49.441 1.00 0.00 H ATOM 392 HH11 ARG A 352 64.404 0.398 49.184 1.00 0.00 H ATOM 393 HH22 ARG A 352 65.392 -2.431 51.032 1.00 0.00 H ATOM 394 HH21 ARG A 352 66.563 -1.500 52.035 1.00 0.00 H ATOM 395 H ARG A 352 64.722 2.637 54.420 1.00 0.00 H ATOM 396 N GLU A 353 61.541 3.213 53.813 1.00 30.00 N ATOM 397 CA GLU A 353 60.104 3.315 54.023 1.00 30.00 C ATOM 398 C GLU A 353 59.693 4.669 54.589 1.00 30.00 C ATOM 399 O GLU A 353 58.673 5.197 54.274 1.00 30.00 O ATOM 400 CB GLU A 353 59.596 2.223 54.918 1.00 20.00 C ATOM 401 CG GLU A 353 59.717 0.834 54.358 1.00 20.00 C ATOM 402 CD GLU A 353 58.986 -0.165 55.193 1.00 20.00 C ATOM 403 OE1 GLU A 353 59.609 -0.725 56.137 1.00 20.00 O ATOM 404 OE2 GLU A 353 57.818 -0.408 54.953 1.00 20.00 O ATOM 405 H GLU A 353 62.081 2.495 54.337 1.00 0.00 H ATOM 406 N LEU A 354 60.534 5.205 55.436 1.00 13.46 N ATOM 407 CA LEU A 354 60.254 6.455 56.068 1.00 16.44 C ATOM 408 C LEU A 354 60.079 7.591 55.079 1.00 15.43 C ATOM 409 O LEU A 354 59.251 8.406 55.261 1.00 14.07 O ATOM 410 CB LEU A 354 61.320 6.833 57.086 1.00 19.12 C ATOM 411 CG LEU A 354 61.291 6.142 58.431 1.00 22.94 C ATOM 412 CD1 LEU A 354 62.480 6.617 59.254 1.00 25.54 C ATOM 413 CD2 LEU A 354 59.992 6.524 59.111 1.00 20.24 C ATOM 414 H LEU A 354 61.423 4.712 55.653 1.00 0.00 H ATOM 415 N VAL A 355 60.917 7.633 54.055 1.00 16.76 N ATOM 416 CA VAL A 355 60.787 8.675 53.046 1.00 18.24 C ATOM 417 C VAL A 355 59.419 8.593 52.362 1.00 15.96 C ATOM 418 O VAL A 355 58.791 9.614 52.097 1.00 17.75 O ATOM 419 CB VAL A 355 61.901 8.593 51.991 1.00 22.39 C ATOM 420 CG1 VAL A 355 61.782 9.760 51.022 1.00 22.35 C ATOM 421 CG2 VAL A 355 63.272 8.587 52.663 1.00 25.56 C ATOM 422 H VAL A 355 61.670 6.920 53.971 1.00 0.00 H ATOM 423 N HIS A 356 58.951 7.376 52.096 1.00 14.64 N ATOM 424 CA HIS A 356 57.613 7.199 51.528 1.00 13.88 C ATOM 425 C HIS A 356 56.531 7.545 52.544 1.00 13.00 C ATOM 426 O HIS A 356 55.478 8.073 52.184 1.00 13.75 O ATOM 427 CB HIS A 356 57.426 5.770 51.021 1.00 16.10 C ATOM 428 CG HIS A 356 58.275 5.452 49.833 1.00 20.91 C ATOM 429 ND1 HIS A 356 57.842 5.640 48.538 1.00 23.85 N ATOM 430 CD2 HIS A 356 59.546 4.993 49.744 1.00 20.31 C ATOM 431 CE1 HIS A 356 58.805 5.295 47.701 1.00 23.94 C ATOM 432 NE2 HIS A 356 59.850 4.903 48.408 1.00 23.58 N ATOM 433 H HIS A 356 59.541 6.543 52.293 1.00 0.00 H ATOM 434 N MET A 357 56.794 7.257 53.814 1.00 11.50 N ATOM 435 CA MET A 357 55.805 7.529 54.852 1.00 11.82 C ATOM 436 C MET A 357 55.555 9.026 54.963 1.00 13.52 C ATOM 437 O MET A 357 54.418 9.468 55.152 1.00 12.33 O ATOM 438 CB MET A 357 56.254 6.969 56.204 1.00 12.42 C ATOM 439 CG MET A 357 55.238 7.193 57.336 1.00 12.29 C ATOM 440 SD MET A 357 55.880 6.774 58.964 1.00 14.62 S ATOM 441 CE MET A 357 56.399 5.079 58.686 1.00 11.74 C ATOM 442 H MET A 357 57.710 6.835 54.070 1.00 0.00 H ATOM 443 N ILE A 358 56.629 9.799 54.840 1.00 12.41 N ATOM 444 CA ILE A 358 56.551 11.247 54.956 1.00 15.08 C ATOM 445 C ILE A 358 55.658 11.816 53.859 1.00 16.46 C ATOM 446 O ILE A 358 54.839 12.705 54.099 1.00 18.08 O ATOM 447 CB ILE A 358 57.957 11.886 54.897 1.00 19.47 C ATOM 448 CG1 ILE A 358 58.757 11.504 56.142 1.00 18.89 C ATOM 449 CG2 ILE A 358 57.863 13.397 54.787 1.00 24.69 C ATOM 450 CD1 ILE A 358 60.234 11.816 56.039 1.00 21.32 C ATOM 451 H ILE A 358 57.552 9.356 54.656 1.00 0.00 H ATOM 452 N ASN A 359 55.783 11.277 52.654 1.00 15.78 N ATOM 453 CA ASN A 359 54.987 11.776 51.546 1.00 18.34 C ATOM 454 C ASN A 359 53.558 11.246 51.548 1.00 16.23 C ATOM 455 O ASN A 359 52.647 11.921 51.076 1.00 17.07 O ATOM 456 CB ASN A 359 55.682 11.456 50.240 1.00 24.84 C ATOM 457 CG ASN A 359 56.996 12.189 50.113 1.00 29.98 C ATOM 458 OD1 ASN A 359 57.022 13.371 49.779 1.00 32.78 O ATOM 459 ND2 ASN A 359 58.096 11.501 50.411 1.00 34.11 N ATOM 460 HD22 ASN A 359 58.025 10.501 50.689 1.00 0.00 H ATOM 461 HD21 ASN A 359 59.027 11.963 50.366 1.00 0.00 H ATOM 462 H ASN A 359 56.452 10.496 52.502 1.00 0.00 H ATOM 463 N TRP A 360 53.367 10.054 52.100 1.00 16.00 N ATOM 464 CA TRP A 360 52.026 9.536 52.351 1.00 15.16 C ATOM 465 C TRP A 360 51.279 10.408 53.356 1.00 14.30 C ATOM 466 O TRP A 360 50.088 10.691 53.176 1.00 15.45 O ATOM 467 CB TRP A 360 52.093 8.091 52.859 1.00 14.67 C ATOM 468 CG TRP A 360 50.853 7.635 53.608 1.00 15.96 C ATOM 469 CD1 TRP A 360 49.681 7.179 53.064 1.00 16.38 C ATOM 470 CD2 TRP A 360 50.681 7.580 55.033 1.00 15.75 C ATOM 471 NE1 TRP A 360 48.795 6.849 54.065 1.00 17.58 N ATOM 472 CE2 TRP A 360 49.383 7.089 55.280 1.00 16.00 C ATOM 473 CE3 TRP A 360 51.502 7.902 56.124 1.00 14.51 C ATOM 474 CZ2 TRP A 360 48.882 6.910 56.576 1.00 17.22 C ATOM 475 CZ3 TRP A 360 51.003 7.720 57.413 1.00 13.47 C ATOM 476 CH2 TRP A 360 49.710 7.227 57.625 1.00 13.82 C ATOM 477 HE1 TRP A 360 47.834 6.477 53.922 1.00 0.00 H ATOM 478 H TRP A 360 54.192 9.476 52.359 1.00 0.00 H ATOM 479 N ALA A 361 51.971 10.816 54.419 1.00 11.92 N ATOM 480 CA ALA A 361 51.330 11.579 55.485 1.00 12.29 C ATOM 481 C ALA A 361 50.767 12.877 54.928 1.00 15.84 C ATOM 482 O ALA A 361 49.656 13.283 55.269 1.00 18.03 O ATOM 483 CB ALA A 361 52.312 11.860 56.622 1.00 10.20 C ATOM 484 H ALA A 361 52.983 10.587 54.490 1.00 0.00 H ATOM 485 N LYS A 362 51.534 13.502 54.042 1.00 13.52 N ATOM 486 CA LYS A 362 51.129 14.746 53.393 1.00 16.46 C ATOM 487 C LYS A 362 49.831 14.594 52.589 1.00 17.31 C ATOM 488 O LYS A 362 49.159 15.579 52.287 1.00 17.62 O ATOM 489 CB LYS A 362 52.257 15.251 52.487 1.00 19.01 C ATOM 490 CG LYS A 362 53.503 15.672 53.244 1.00 22.01 C ATOM 491 CD LYS A 362 54.611 16.116 52.301 1.00 24.92 C ATOM 492 H LYS A 362 52.458 13.090 53.801 1.00 0.00 H ATOM 493 N ARG A 363 49.477 13.359 52.253 1.00 17.15 N ATOM 494 CA ARG A 363 48.280 13.108 51.460 1.00 19.04 C ATOM 495 C ARG A 363 47.109 12.657 52.334 1.00 18.86 C ATOM 496 O ARG A 363 45.995 12.475 51.850 1.00 20.07 O ATOM 497 CB ARG A 363 48.578 12.078 50.367 1.00 24.49 C ATOM 498 CG ARG A 363 49.537 12.599 49.299 1.00 25.83 C ATOM 499 CD ARG A 363 49.745 11.591 48.190 1.00 30.73 C ATOM 500 NE ARG A 363 48.505 11.316 47.473 1.00 34.85 N ATOM 501 CZ ARG A 363 48.426 10.576 46.372 1.00 39.29 C ATOM 502 NH1 ARG A 363 47.252 10.380 45.791 1.00 39.44 N ATOM 503 NH2 ARG A 363 49.521 10.036 45.853 1.00 40.08 N ATOM 504 HE ARG A 363 47.626 11.726 47.848 1.00 0.00 H ATOM 505 HH12 ARG A 363 47.188 9.801 44.929 1.00 0.00 H ATOM 506 HH11 ARG A 363 46.394 10.805 46.196 1.00 0.00 H ATOM 507 HH22 ARG A 363 49.457 9.457 44.991 1.00 0.00 H ATOM 508 HH21 ARG A 363 50.443 10.191 46.308 1.00 0.00 H ATOM 509 H ARG A 363 50.064 12.557 52.561 1.00 0.00 H ATOM 510 N VAL A 364 47.361 12.479 53.625 1.00 16.50 N ATOM 511 CA VAL A 364 46.277 12.202 54.562 1.00 17.76 C ATOM 512 C VAL A 364 45.490 13.488 54.820 1.00 19.52 C ATOM 513 O VAL A 364 46.067 14.487 55.245 1.00 20.10 O ATOM 514 CB VAL A 364 46.808 11.631 55.895 1.00 15.79 C ATOM 515 CG1 VAL A 364 45.677 11.504 56.916 1.00 17.11 C ATOM 516 CG2 VAL A 364 47.506 10.287 55.669 1.00 15.55 C ATOM 517 H VAL A 364 48.340 12.537 53.972 1.00 0.00 H ATOM 518 N PRO A 365 44.175 13.478 54.534 1.00 20.97 N ATOM 519 CA PRO A 365 43.332 14.671 54.704 1.00 26.18 C ATOM 520 C PRO A 365 43.551 15.390 56.036 1.00 26.00 C ATOM 521 O PRO A 365 43.488 14.769 57.095 1.00 23.84 O ATOM 522 CB PRO A 365 41.917 14.102 54.614 1.00 30.31 C ATOM 523 CG PRO A 365 42.063 12.964 53.646 1.00 29.21 C ATOM 524 CD PRO A 365 43.420 12.355 53.948 1.00 20.91 C ATOM 525 N GLY A 366 43.846 16.685 55.966 1.00 27.09 N ATOM 526 CA GLY A 366 44.042 17.498 57.154 1.00 26.41 C ATOM 527 C GLY A 366 45.476 17.632 57.647 1.00 26.48 C ATOM 528 O GLY A 366 45.790 18.559 58.393 1.00 28.42 O ATOM 529 H GLY A 366 43.939 17.130 55.031 1.00 0.00 H ATOM 530 N PHE A 367 46.352 16.718 57.244 1.00 20.61 N ATOM 531 CA PHE A 367 47.708 16.705 57.787 1.00 17.89 C ATOM 532 C PHE A 367 48.531 17.928 57.365 1.00 21.44 C ATOM 533 O PHE A 367 49.225 18.524 58.194 1.00 21.47 O ATOM 534 CB PHE A 367 48.431 15.420 57.376 1.00 16.60 C ATOM 535 CG PHE A 367 49.769 15.234 58.041 1.00 18.06 C ATOM 536 CD1 PHE A 367 49.852 14.735 59.332 1.00 19.79 C ATOM 537 CD2 PHE A 367 50.943 15.549 57.373 1.00 17.54 C ATOM 538 CE1 PHE A 367 51.077 14.556 59.946 1.00 19.77 C ATOM 539 CE2 PHE A 367 52.175 15.374 57.983 1.00 19.36 C ATOM 540 CZ PHE A 367 52.237 14.871 59.275 1.00 19.45 C ATOM 541 H PHE A 367 46.071 16.008 56.538 1.00 0.00 H ATOM 542 N VAL A 368 48.465 18.310 56.092 1.00 22.56 N ATOM 543 CA VAL A 368 49.289 19.427 55.626 1.00 27.39 C ATOM 544 C VAL A 368 48.787 20.783 56.109 1.00 28.13 C ATOM 545 O VAL A 368 49.481 21.784 55.953 1.00 29.00 O ATOM 546 CB VAL A 368 49.400 19.476 54.089 1.00 30.24 C ATOM 547 CG1 VAL A 368 50.229 18.310 53.589 1.00 31.68 C ATOM 548 CG2 VAL A 368 48.027 19.514 53.439 1.00 31.15 C ATOM 549 H VAL A 368 47.831 17.817 55.431 1.00 0.00 H ATOM 550 N ASP A 369 47.592 20.817 56.696 1.00 26.36 N ATOM 551 CA ASP A 369 47.063 22.047 57.291 1.00 29.40 C ATOM 552 C ASP A 369 47.745 22.384 58.612 1.00 26.24 C ATOM 553 O ASP A 369 47.709 23.524 59.061 1.00 26.10 O ATOM 554 CB ASP A 369 45.554 21.938 57.530 1.00 35.57 C ATOM 555 CG ASP A 369 44.761 21.855 56.245 1.00 42.89 C ATOM 556 OD1 ASP A 369 45.224 22.408 55.221 1.00 45.87 O ATOM 557 OD2 ASP A 369 43.672 21.239 56.262 1.00 43.72 O ATOM 558 H ASP A 369 47.020 19.949 56.733 1.00 0.00 H ATOM 559 N LEU A 370 48.339 21.380 59.243 1.00 19.32 N ATOM 560 CA LEU A 370 49.022 21.560 60.516 1.00 18.72 C ATOM 561 C LEU A 370 50.339 22.308 60.318 1.00 20.97 C ATOM 562 O LEU A 370 50.887 22.297 59.221 1.00 20.83 O ATOM 563 CB LEU A 370 49.283 20.201 61.161 1.00 17.87 C ATOM 564 CG LEU A 370 48.068 19.289 61.341 1.00 18.80 C ATOM 565 CD1 LEU A 370 48.500 17.881 61.719 1.00 20.16 C ATOM 566 CD2 LEU A 370 47.134 19.869 62.383 1.00 24.07 C ATOM 567 H LEU A 370 48.316 20.433 58.814 1.00 0.00 H ATOM 568 N THR A 371 50.847 22.945 61.371 1.00 20.55 N ATOM 569 CA THR A 371 52.184 23.537 61.309 1.00 20.49 C ATOM 570 C THR A 371 53.224 22.448 61.087 1.00 19.83 C ATOM 571 O THR A 371 52.982 21.280 61.402 1.00 19.24 O ATOM 572 CB THR A 371 52.546 24.312 62.596 1.00 23.74 C ATOM 573 OG1 THR A 371 52.514 23.422 63.722 1.00 24.43 O ATOM 574 CG2 THR A 371 51.582 25.463 62.823 1.00 25.40 C ATOM 575 HG1 THR A 371 51.605 23.040 63.813 1.00 0.00 H ATOM 576 H THR A 371 50.289 23.023 62.245 1.00 0.00 H ATOM 577 N LEU A 372 54.377 22.831 60.548 1.00 18.37 N ATOM 578 CA LEU A 372 55.473 21.887 60.358 1.00 20.12 C ATOM 579 C LEU A 372 55.861 21.237 61.681 1.00 17.38 C ATOM 580 O LEU A 372 56.158 20.044 61.728 1.00 18.02 O ATOM 581 CB LEU A 372 56.687 22.580 59.738 1.00 20.34 C ATOM 582 CG LEU A 372 56.506 23.057 58.299 1.00 26.16 C ATOM 583 CD1 LEU A 372 57.785 23.706 57.782 1.00 28.38 C ATOM 584 CD2 LEU A 372 56.092 21.885 57.424 1.00 25.42 C ATOM 585 H LEU A 372 54.500 23.822 60.256 1.00 0.00 H ATOM 586 N HIS A 373 55.839 22.018 62.758 1.00 19.84 N ATOM 587 CA HIS A 373 56.152 21.481 64.074 1.00 20.92 C ATOM 588 C HIS A 373 55.171 20.378 64.469 1.00 20.45 C ATOM 589 O HIS A 373 55.576 19.348 65.009 1.00 21.76 O ATOM 590 CB HIS A 373 56.148 22.592 65.126 1.00 22.31 C ATOM 591 CG HIS A 373 57.243 23.596 64.947 1.00 25.83 C ATOM 592 ND1 HIS A 373 58.475 23.265 64.426 1.00 27.96 N ATOM 593 CD2 HIS A 373 57.290 24.923 65.213 1.00 28.79 C ATOM 594 CE1 HIS A 373 59.236 24.345 64.381 1.00 28.45 C ATOM 595 NE2 HIS A 373 58.540 25.365 64.851 1.00 28.66 N ATOM 596 H HIS A 373 55.595 23.024 62.658 1.00 0.00 H ATOM 597 N ASP A 374 53.886 20.591 64.195 1.00 19.84 N ATOM 598 CA ASP A 374 52.856 19.604 64.516 1.00 18.54 C ATOM 599 C ASP A 374 52.979 18.363 63.630 1.00 15.98 C ATOM 600 O ASP A 374 52.810 17.231 64.094 1.00 13.57 O ATOM 601 CB ASP A 374 51.458 20.215 64.370 1.00 20.21 C ATOM 602 CG ASP A 374 51.112 21.176 65.500 1.00 30.35 C ATOM 603 OD1 ASP A 374 51.962 21.406 66.384 1.00 29.40 O ATOM 604 OD2 ASP A 374 49.981 21.706 65.493 1.00 35.50 O ATOM 605 H ASP A 374 53.607 21.484 63.740 1.00 0.00 H ATOM 606 N GLN A 375 53.272 18.579 62.353 1.00 13.85 N ATOM 607 CA GLN A 375 53.514 17.471 61.440 1.00 13.70 C ATOM 608 C GLN A 375 54.704 16.635 61.907 1.00 15.30 C ATOM 609 O GLN A 375 54.633 15.408 61.936 1.00 13.45 O ATOM 610 CB GLN A 375 53.750 17.984 60.022 1.00 14.09 C ATOM 611 CG GLN A 375 52.576 18.732 59.413 1.00 15.64 C ATOM 612 CD GLN A 375 52.876 19.176 58.000 1.00 18.84 C ATOM 613 OE1 GLN A 375 53.629 18.513 57.288 1.00 22.07 O ATOM 614 NE2 GLN A 375 52.313 20.312 57.592 1.00 22.09 N ATOM 615 HE22 GLN A 375 51.683 20.838 58.230 1.00 0.00 H ATOM 616 HE21 GLN A 375 52.504 20.673 56.635 1.00 0.00 H ATOM 617 H GLN A 375 53.330 19.555 61.999 1.00 0.00 H ATOM 618 N VAL A 376 55.785 17.308 62.293 1.00 13.19 N ATOM 619 CA VAL A 376 56.976 16.626 62.793 1.00 17.41 C ATOM 620 C VAL A 376 56.629 15.803 64.024 1.00 16.92 C ATOM 621 O VAL A 376 56.983 14.630 64.143 1.00 14.72 O ATOM 622 CB VAL A 376 58.103 17.634 63.140 1.00 16.73 C ATOM 623 CG1 VAL A 376 59.153 16.998 64.044 1.00 18.36 C ATOM 624 CG2 VAL A 376 58.739 18.178 61.869 1.00 16.27 C ATOM 625 H VAL A 376 55.782 18.347 62.237 1.00 0.00 H ATOM 626 N HIS A 377 55.904 16.428 64.936 1.00 15.27 N ATOM 627 CA HIS A 377 55.559 15.767 66.176 1.00 18.25 C ATOM 628 C HIS A 377 54.716 14.502 65.980 1.00 16.50 C ATOM 629 O HIS A 377 54.978 13.477 66.611 1.00 14.58 O ATOM 630 CB HIS A 377 54.821 16.722 67.098 1.00 20.62 C ATOM 631 CG HIS A 377 54.370 16.070 68.358 1.00 22.51 C ATOM 632 ND1 HIS A 377 55.257 15.565 69.283 1.00 23.99 N ATOM 633 CD2 HIS A 377 53.133 15.789 68.823 1.00 23.97 C ATOM 634 CE1 HIS A 377 54.583 15.024 70.280 1.00 27.09 C ATOM 635 NE2 HIS A 377 53.293 15.144 70.025 1.00 25.87 N ATOM 636 H HIS A 377 55.580 17.401 64.761 1.00 0.00 H ATOM 637 N LEU A 378 53.703 14.569 65.121 1.00 12.76 N ATOM 638 CA LEU A 378 52.867 13.396 64.875 1.00 13.27 C ATOM 639 C LEU A 378 53.651 12.249 64.230 1.00 12.83 C ATOM 640 O LEU A 378 53.480 11.085 64.605 1.00 12.68 O ATOM 641 CB LEU A 378 51.666 13.764 64.003 1.00 13.82 C ATOM 642 CG LEU A 378 50.623 14.659 64.679 1.00 14.92 C ATOM 643 CD1 LEU A 378 49.597 15.132 63.664 1.00 17.74 C ATOM 644 CD2 LEU A 378 49.934 13.938 65.830 1.00 16.05 C ATOM 645 H LEU A 378 53.505 15.460 64.622 1.00 0.00 H ATOM 646 N LEU A 379 54.508 12.570 63.266 1.00 14.14 N ATOM 647 CA LEU A 379 55.296 11.536 62.605 1.00 14.49 C ATOM 648 C LEU A 379 56.347 10.954 63.549 1.00 14.46 C ATOM 649 O LEU A 379 56.609 9.751 63.527 1.00 13.09 O ATOM 650 CB LEU A 379 55.954 12.089 61.338 1.00 16.59 C ATOM 651 CG LEU A 379 55.051 12.073 60.104 1.00 15.71 C ATOM 652 CD1 LEU A 379 55.627 12.937 58.989 1.00 14.29 C ATOM 653 CD2 LEU A 379 54.882 10.644 59.629 1.00 16.38 C ATOM 654 H LEU A 379 54.617 13.564 62.981 1.00 0.00 H ATOM 655 N GLU A 380 56.938 11.805 64.385 1.00 13.31 N ATOM 656 CA GLU A 380 57.898 11.342 65.382 1.00 14.34 C ATOM 657 C GLU A 380 57.244 10.384 66.363 1.00 13.77 C ATOM 658 O GLU A 380 57.845 9.392 66.767 1.00 14.72 O ATOM 659 CB GLU A 380 58.514 12.521 66.146 1.00 18.44 C ATOM 660 CG GLU A 380 59.663 13.195 65.423 1.00 18.52 C ATOM 661 CD GLU A 380 60.254 14.336 66.218 1.00 22.80 C ATOM 662 OE1 GLU A 380 61.416 14.704 65.947 1.00 26.63 O ATOM 663 OE2 GLU A 380 59.553 14.860 67.112 1.00 21.76 O ATOM 664 H GLU A 380 56.711 12.818 64.327 1.00 0.00 H ATOM 665 N CYS A 381 56.004 10.669 66.749 1.00 13.09 N ATOM 666 CA CYS A 381 55.312 9.791 67.685 1.00 13.54 C ATOM 667 C CYS A 381 54.923 8.463 67.047 1.00 13.70 C ATOM 668 O CYS A 381 55.084 7.407 67.659 1.00 15.24 O ATOM 669 CB CYS A 381 54.062 10.469 68.248 1.00 13.34 C ATOM 670 SG CYS A 381 54.414 11.816 69.385 1.00 21.04 S ATOM 671 H CYS A 381 55.528 11.518 66.383 1.00 0.00 H ATOM 672 N ALA A 382 54.429 8.515 65.813 1.00 11.39 N ATOM 673 CA ALA A 382 53.763 7.353 65.209 1.00 13.15 C ATOM 674 C ALA A 382 54.552 6.498 64.213 1.00 12.31 C ATOM 675 O ALA A 382 54.037 5.472 63.769 1.00 9.72 O ATOM 676 CB ALA A 382 52.478 7.822 64.527 1.00 14.72 C ATOM 677 H ALA A 382 54.516 9.395 65.265 1.00 0.00 H ATOM 678 N TRP A 383 55.772 6.890 63.857 1.00 13.99 N ATOM 679 CA TRP A 383 56.439 6.248 62.726 1.00 10.43 C ATOM 680 C TRP A 383 56.592 4.728 62.877 1.00 10.30 C ATOM 681 O TRP A 383 56.356 3.997 61.924 1.00 9.02 O ATOM 682 CB TRP A 383 57.810 6.885 62.465 1.00 11.16 C ATOM 683 CG TRP A 383 58.852 6.630 63.517 1.00 13.28 C ATOM 684 CD1 TRP A 383 59.066 7.357 64.655 1.00 15.08 C ATOM 685 CD2 TRP A 383 59.842 5.591 63.514 1.00 12.73 C ATOM 686 NE1 TRP A 383 60.116 6.826 65.366 1.00 16.89 N ATOM 687 CE2 TRP A 383 60.611 5.743 64.687 1.00 16.78 C ATOM 688 CE3 TRP A 383 60.147 4.544 62.636 1.00 15.59 C ATOM 689 CZ2 TRP A 383 61.665 4.884 65.009 1.00 18.41 C ATOM 690 CZ3 TRP A 383 61.194 3.692 62.956 1.00 18.07 C ATOM 691 CH2 TRP A 383 61.941 3.869 64.130 1.00 19.23 C ATOM 692 HE1 TRP A 383 60.476 7.187 66.272 1.00 0.00 H ATOM 693 H TRP A 383 56.250 7.651 64.381 1.00 0.00 H ATOM 694 N LEU A 384 56.963 4.241 64.058 1.00 9.16 N ATOM 695 CA LEU A 384 57.172 2.798 64.189 1.00 11.48 C ATOM 696 C LEU A 384 55.829 2.048 64.270 1.00 9.75 C ATOM 697 O LEU A 384 55.710 0.924 63.773 1.00 10.63 O ATOM 698 CB LEU A 384 58.057 2.483 65.401 1.00 10.17 C ATOM 699 CG LEU A 384 58.451 1.007 65.580 1.00 10.83 C ATOM 700 CD1 LEU A 384 59.093 0.429 64.307 1.00 13.19 C ATOM 701 CD2 LEU A 384 59.371 0.830 66.787 1.00 14.23 C ATOM 702 H LEU A 384 57.102 4.873 64.872 1.00 0.00 H ATOM 703 N GLU A 385 54.818 2.670 64.872 1.00 10.43 N ATOM 704 CA GLU A 385 53.467 2.119 64.821 1.00 10.60 C ATOM 705 C GLU A 385 52.998 1.935 63.373 1.00 10.65 C ATOM 706 O GLU A 385 52.408 0.911 63.021 1.00 9.84 O ATOM 707 CB GLU A 385 52.473 3.020 65.562 1.00 8.93 C ATOM 708 CG GLU A 385 52.619 3.055 67.070 1.00 11.03 C ATOM 709 CD GLU A 385 51.507 3.851 67.731 1.00 13.68 C ATOM 710 OE1 GLU A 385 51.721 5.040 68.043 1.00 14.51 O ATOM 711 OE2 GLU A 385 50.409 3.292 67.925 1.00 13.64 O ATOM 712 H GLU A 385 54.992 3.558 65.384 1.00 0.00 H ATOM 713 N ILE A 386 53.264 2.935 62.542 1.00 8.48 N ATOM 714 CA ILE A 386 52.863 2.885 61.143 1.00 10.92 C ATOM 715 C ILE A 386 53.653 1.815 60.372 1.00 10.91 C ATOM 716 O ILE A 386 53.073 1.054 59.608 1.00 11.47 O ATOM 717 CB ILE A 386 53.023 4.268 60.494 1.00 11.29 C ATOM 718 CG1 ILE A 386 52.036 5.251 61.138 1.00 13.43 C ATOM 719 CG2 ILE A 386 52.825 4.184 58.978 1.00 12.78 C ATOM 720 CD1 ILE A 386 52.359 6.725 60.896 1.00 16.53 C ATOM 721 H ILE A 386 53.769 3.772 62.897 1.00 0.00 H ATOM 722 N LEU A 387 54.960 1.726 60.598 1.00 10.69 N ATOM 723 CA LEU A 387 55.736 0.651 59.980 1.00 9.71 C ATOM 724 C LEU A 387 55.201 -0.717 60.393 1.00 12.02 C ATOM 725 O LEU A 387 55.082 -1.627 59.569 1.00 14.95 O ATOM 726 CB LEU A 387 57.217 0.752 60.350 1.00 10.50 C ATOM 727 CG LEU A 387 58.004 1.878 59.689 1.00 11.78 C ATOM 728 CD1 LEU A 387 59.466 1.752 60.065 1.00 11.62 C ATOM 729 CD2 LEU A 387 57.822 1.840 58.172 1.00 10.32 C ATOM 730 H LEU A 387 55.430 2.420 61.214 1.00 0.00 H ATOM 731 N MET A 388 54.866 -0.851 61.670 1.00 9.68 N ATOM 732 CA MET A 388 54.425 -2.133 62.193 1.00 12.15 C ATOM 733 C MET A 388 53.042 -2.544 61.684 1.00 12.37 C ATOM 734 O MET A 388 52.824 -3.716 61.386 1.00 13.10 O ATOM 735 CB MET A 388 54.431 -2.112 63.721 1.00 9.95 C ATOM 736 CG MET A 388 55.826 -2.261 64.326 1.00 8.13 C ATOM 737 SD MET A 388 55.823 -2.199 66.120 1.00 13.87 S ATOM 738 CE MET A 388 57.479 -2.761 66.494 1.00 13.50 C ATOM 739 H MET A 388 54.920 -0.029 62.304 1.00 0.00 H ATOM 740 N ILE A 389 52.099 -1.609 61.596 1.00 12.01 N ATOM 741 CA ILE A 389 50.772 -2.006 61.137 1.00 12.90 C ATOM 742 C ILE A 389 50.857 -2.357 59.646 1.00 11.27 C ATOM 743 O ILE A 389 50.167 -3.260 59.168 1.00 12.58 O ATOM 744 CB ILE A 389 49.684 -0.924 61.414 1.00 11.95 C ATOM 745 CG1 ILE A 389 48.288 -1.524 61.189 1.00 13.98 C ATOM 746 CG2 ILE A 389 49.904 0.353 60.594 1.00 10.01 C ATOM 747 CD1 ILE A 389 47.135 -0.595 61.529 1.00 15.91 C ATOM 748 H ILE A 389 52.303 -0.621 61.848 1.00 0.00 H ATOM 749 N GLY A 390 51.750 -1.674 58.934 1.00 11.66 N ATOM 750 CA GLY A 390 52.032 -1.996 57.548 1.00 13.94 C ATOM 751 C GLY A 390 52.571 -3.411 57.432 1.00 14.58 C ATOM 752 O GLY A 390 52.089 -4.197 56.622 1.00 15.47 O ATOM 753 H GLY A 390 52.260 -0.887 59.384 1.00 0.00 H ATOM 754 N LEU A 391 53.568 -3.731 58.256 1.00 13.08 N ATOM 755 CA LEU A 391 54.141 -5.074 58.303 1.00 13.51 C ATOM 756 C LEU A 391 53.093 -6.141 58.617 1.00 14.90 C ATOM 757 O LEU A 391 53.030 -7.176 57.952 1.00 13.20 O ATOM 758 CB LEU A 391 55.267 -5.132 59.345 1.00 11.61 C ATOM 759 CG LEU A 391 55.873 -6.509 59.625 1.00 12.21 C ATOM 760 CD1 LEU A 391 56.554 -7.064 58.378 1.00 11.69 C ATOM 761 CD2 LEU A 391 56.843 -6.437 60.800 1.00 14.42 C ATOM 762 H LEU A 391 53.952 -2.999 58.888 1.00 0.00 H ATOM 763 N VAL A 392 52.273 -5.890 59.632 1.00 14.02 N ATOM 764 CA VAL A 392 51.260 -6.862 60.023 1.00 15.69 C ATOM 765 C VAL A 392 50.261 -7.081 58.878 1.00 16.12 C ATOM 766 O VAL A 392 49.871 -8.213 58.588 1.00 17.09 O ATOM 767 CB VAL A 392 50.541 -6.413 61.316 1.00 16.22 C ATOM 768 CG1 VAL A 392 49.318 -7.255 61.569 1.00 22.40 C ATOM 769 CG2 VAL A 392 51.503 -6.489 62.502 1.00 15.80 C ATOM 770 H VAL A 392 52.355 -4.993 60.152 1.00 0.00 H ATOM 771 N TRP A 393 49.881 -6.001 58.203 1.00 11.71 N ATOM 772 CA TRP A 393 48.996 -6.100 57.039 1.00 12.97 C ATOM 773 C TRP A 393 49.607 -6.935 55.898 1.00 16.12 C ATOM 774 O TRP A 393 48.940 -7.816 55.353 1.00 16.37 O ATOM 775 CB TRP A 393 48.628 -4.702 56.525 1.00 14.08 C ATOM 776 CG TRP A 393 47.879 -4.710 55.227 1.00 16.72 C ATOM 777 CD1 TRP A 393 48.350 -4.311 54.009 1.00 21.36 C ATOM 778 CD2 TRP A 393 46.529 -5.145 55.013 1.00 18.56 C ATOM 779 NE1 TRP A 393 47.373 -4.463 53.052 1.00 23.61 N ATOM 780 CE2 TRP A 393 46.248 -4.977 53.641 1.00 23.15 C ATOM 781 CE3 TRP A 393 45.531 -5.659 55.846 1.00 19.13 C ATOM 782 CZ2 TRP A 393 45.010 -5.304 53.084 1.00 26.67 C ATOM 783 CZ3 TRP A 393 44.299 -5.985 55.287 1.00 23.55 C ATOM 784 CH2 TRP A 393 44.053 -5.807 53.921 1.00 26.57 C ATOM 785 HE1 TRP A 393 47.473 -4.226 52.044 1.00 0.00 H ATOM 786 H TRP A 393 50.219 -5.066 58.507 1.00 0.00 H ATOM 787 N ARG A 394 50.868 -6.664 55.552 1.00 16.32 N ATOM 788 CA ARG A 394 51.578 -7.417 54.510 1.00 18.66 C ATOM 789 C ARG A 394 51.663 -8.902 54.830 1.00 16.74 C ATOM 790 O ARG A 394 51.750 -9.738 53.934 1.00 18.51 O ATOM 791 CB ARG A 394 53.011 -6.893 54.321 1.00 19.69 C ATOM 792 CG ARG A 394 53.124 -5.465 53.860 1.00 24.73 C ATOM 793 CD ARG A 394 54.496 -5.176 53.278 1.00 22.14 C ATOM 794 NE ARG A 394 55.579 -5.149 54.260 1.00 16.85 N ATOM 795 CZ ARG A 394 55.828 -4.123 55.068 1.00 16.99 C ATOM 796 NH1 ARG A 394 55.045 -3.054 55.049 1.00 16.89 N ATOM 797 NH2 ARG A 394 56.855 -4.171 55.905 1.00 15.60 N ATOM 798 HE ARG A 394 56.193 -5.985 54.331 1.00 0.00 H ATOM 799 HH12 ARG A 394 55.243 -2.253 55.682 1.00 0.00 H ATOM 800 HH11 ARG A 394 54.233 -3.016 54.401 1.00 0.00 H ATOM 801 HH22 ARG A 394 57.049 -3.368 56.537 1.00 0.00 H ATOM 802 HH21 ARG A 394 57.467 -5.012 55.930 1.00 0.00 H ATOM 803 H ARG A 394 51.366 -5.891 56.038 1.00 0.00 H ATOM 804 N SER A 395 51.667 -9.215 56.118 1.00 16.13 N ATOM 805 CA SER A 395 51.964 -10.558 56.584 1.00 17.58 C ATOM 806 C SER A 395 50.713 -11.403 56.780 1.00 21.66 C ATOM 807 O SER A 395 50.807 -12.589 57.086 1.00 21.87 O ATOM 808 CB SER A 395 52.755 -10.484 57.892 1.00 15.24 C ATOM 809 OG SER A 395 53.936 -9.726 57.716 1.00 17.12 O ATOM 810 HG SER A 395 53.698 -8.808 57.431 1.00 0.00 H ATOM 811 H SER A 395 51.451 -8.476 56.817 1.00 0.00 H ATOM 812 N MET A 396 49.549 -10.787 56.594 1.00 20.66 N ATOM 813 CA MET A 396 48.271 -11.465 56.813 1.00 26.27 C ATOM 814 C MET A 396 48.115 -12.785 56.068 1.00 30.13 C ATOM 815 O MET A 396 47.626 -13.762 56.632 1.00 33.75 O ATOM 816 CB MET A 396 47.118 -10.552 56.415 1.00 28.44 C ATOM 817 CG MET A 396 46.577 -9.721 57.538 1.00 30.18 C ATOM 818 SD MET A 396 45.041 -8.960 57.007 1.00 33.58 S ATOM 819 CE MET A 396 43.877 -10.301 57.174 1.00 32.62 C ATOM 820 H MET A 396 49.547 -9.794 56.284 1.00 0.00 H ATOM 821 N GLU A 397 48.518 -12.810 54.804 1.00 30.76 N ATOM 822 CA GLU A 397 48.356 -14.006 53.985 1.00 34.99 C ATOM 823 C GLU A 397 49.559 -14.943 54.089 1.00 36.03 C ATOM 824 O GLU A 397 49.760 -15.805 53.234 1.00 36.30 O ATOM 825 CB GLU A 397 48.112 -13.621 52.523 1.00 34.86 C ATOM 826 H GLU A 397 48.957 -11.963 54.390 1.00 0.00 H ATOM 827 N HIS A 398 50.351 -14.771 55.144 1.00 34.00 N ATOM 828 CA HIS A 398 51.494 -15.640 55.409 1.00 31.58 C ATOM 829 C HIS A 398 51.535 -16.074 56.870 1.00 30.07 C ATOM 830 O HIS A 398 52.360 -15.574 57.631 1.00 25.71 O ATOM 831 CB HIS A 398 52.804 -14.934 55.059 1.00 30.49 C ATOM 832 CG HIS A 398 52.908 -14.524 53.625 1.00 34.14 C ATOM 833 ND1 HIS A 398 53.477 -15.328 52.661 1.00 36.69 N ATOM 834 CD2 HIS A 398 52.514 -13.395 52.989 1.00 35.09 C ATOM 835 CE1 HIS A 398 53.433 -14.710 51.494 1.00 37.42 C ATOM 836 NE2 HIS A 398 52.851 -13.537 51.665 1.00 36.34 N ATOM 837 H HIS A 398 50.149 -13.991 55.802 1.00 0.00 H ATOM 838 N PRO A 399 50.649 -17.005 57.266 1.00 31.98 N ATOM 839 CA PRO A 399 50.599 -17.441 58.667 1.00 29.31 C ATOM 840 C PRO A 399 51.962 -17.883 59.191 1.00 24.42 C ATOM 841 O PRO A 399 52.645 -18.671 58.538 1.00 26.96 O ATOM 842 CB PRO A 399 49.624 -18.622 58.633 1.00 32.25 C ATOM 843 CG PRO A 399 48.772 -18.368 57.443 1.00 35.10 C ATOM 844 CD PRO A 399 49.673 -17.725 56.430 1.00 33.97 C ATOM 845 N GLY A 400 52.354 -17.356 60.346 1.00 21.44 N ATOM 846 CA GLY A 400 53.593 -17.758 60.988 1.00 25.33 C ATOM 847 C GLY A 400 54.830 -17.024 60.500 1.00 26.53 C ATOM 848 O GLY A 400 55.945 -17.312 60.939 1.00 26.07 O ATOM 849 H GLY A 400 51.758 -16.636 60.802 1.00 0.00 H ATOM 850 N LYS A 401 54.644 -16.076 59.590 1.00 22.33 N ATOM 851 CA LYS A 401 55.772 -15.347 59.026 1.00 20.57 C ATOM 852 C LYS A 401 55.525 -13.852 58.993 1.00 17.71 C ATOM 853 O LYS A 401 54.380 -13.406 58.965 1.00 18.91 O ATOM 854 CB LYS A 401 56.070 -15.834 57.608 1.00 27.39 C ATOM 855 CG LYS A 401 56.317 -17.323 57.486 1.00 34.71 C ATOM 856 CD LYS A 401 56.371 -17.741 56.028 1.00 39.94 C ATOM 857 CE LYS A 401 57.130 -19.041 55.867 1.00 47.35 C ATOM 858 NZ LYS A 401 56.559 -20.112 56.725 1.00 50.78 N ATOM 859 HZ1 LYS A 401 56.611 -19.820 57.722 1.00 0.00 H ATOM 860 HZ2 LYS A 401 55.566 -20.274 56.461 1.00 0.00 H ATOM 861 HZ3 LYS A 401 57.102 -20.989 56.591 1.00 0.00 H ATOM 862 H LYS A 401 53.679 -15.850 59.275 1.00 0.00 H ATOM 863 N LEU A 402 56.612 -13.084 58.982 1.00 17.51 N ATOM 864 CA LEU A 402 56.538 -11.644 58.820 1.00 18.56 C ATOM 865 C LEU A 402 57.161 -11.271 57.483 1.00 16.58 C ATOM 866 O LEU A 402 58.335 -11.545 57.224 1.00 15.26 O ATOM 867 CB LEU A 402 57.234 -10.920 59.978 1.00 19.13 C ATOM 868 CG LEU A 402 56.600 -11.116 61.360 1.00 20.61 C ATOM 869 CD1 LEU A 402 57.498 -10.573 62.461 1.00 19.35 C ATOM 870 CD2 LEU A 402 55.218 -10.467 61.418 1.00 18.25 C ATOM 871 H LEU A 402 57.545 -13.531 59.093 1.00 0.00 H ATOM 872 N LEU A 403 56.343 -10.665 56.632 1.00 15.76 N ATOM 873 CA LEU A 403 56.769 -10.222 55.314 1.00 17.09 C ATOM 874 C LEU A 403 57.317 -8.803 55.399 1.00 16.55 C ATOM 875 O LEU A 403 56.611 -7.842 55.088 1.00 15.26 O ATOM 876 CB LEU A 403 55.601 -10.296 54.322 1.00 18.43 C ATOM 877 CG LEU A 403 55.881 -10.332 52.816 1.00 22.89 C ATOM 878 CD1 LEU A 403 54.662 -10.839 52.078 1.00 29.28 C ATOM 879 CD2 LEU A 403 56.258 -8.976 52.271 1.00 24.44 C ATOM 880 H LEU A 403 55.357 -10.500 56.919 1.00 0.00 H ATOM 881 N PHE A 404 58.568 -8.673 55.836 1.00 17.50 N ATOM 882 CA PHE A 404 59.208 -7.362 55.889 1.00 17.13 C ATOM 883 C PHE A 404 59.314 -6.795 54.484 1.00 15.80 C ATOM 884 O PHE A 404 59.092 -5.598 54.259 1.00 14.96 O ATOM 885 CB PHE A 404 60.587 -7.449 56.552 1.00 14.79 C ATOM 886 CG PHE A 404 60.517 -7.608 58.043 1.00 14.08 C ATOM 887 CD1 PHE A 404 60.372 -6.497 58.862 1.00 12.32 C ATOM 888 CD2 PHE A 404 60.546 -8.867 58.622 1.00 13.12 C ATOM 889 CE1 PHE A 404 60.284 -6.635 60.235 1.00 12.72 C ATOM 890 CE2 PHE A 404 60.457 -9.018 59.996 1.00 16.92 C ATOM 891 CZ PHE A 404 60.328 -7.894 60.810 1.00 13.95 C ATOM 892 H PHE A 404 59.095 -9.515 56.143 1.00 0.00 H ATOM 893 N ALA A 405 59.626 -7.680 53.542 1.00 15.30 N ATOM 894 CA ALA A 405 59.738 -7.341 52.129 1.00 15.73 C ATOM 895 C ALA A 405 59.475 -8.614 51.340 1.00 15.25 C ATOM 896 O ALA A 405 59.546 -9.704 51.911 1.00 18.16 O ATOM 897 CB ALA A 405 61.115 -6.770 51.821 1.00 15.76 C ATOM 898 H ALA A 405 59.799 -8.665 53.828 1.00 0.00 H ATOM 899 N PRO A 406 59.154 -8.499 50.038 1.00 18.23 N ATOM 900 CA PRO A 406 58.898 -9.746 49.308 1.00 20.43 C ATOM 901 C PRO A 406 60.126 -10.651 49.256 1.00 23.92 C ATOM 902 O PRO A 406 59.979 -11.860 49.082 1.00 26.34 O ATOM 903 CB PRO A 406 58.506 -9.263 47.908 1.00 22.99 C ATOM 904 CG PRO A 406 58.012 -7.871 48.114 1.00 22.22 C ATOM 905 CD PRO A 406 58.874 -7.311 49.213 1.00 19.21 C ATOM 906 N ASN A 407 61.318 -10.082 49.417 1.00 20.11 N ATOM 907 CA ASN A 407 62.532 -10.889 49.444 1.00 22.45 C ATOM 908 C ASN A 407 63.082 -11.020 50.866 1.00 19.65 C ATOM 909 O ASN A 407 64.243 -11.367 51.066 1.00 21.35 O ATOM 910 CB ASN A 407 63.590 -10.300 48.506 1.00 23.51 C ATOM 911 CG ASN A 407 64.102 -8.945 48.972 1.00 22.70 C ATOM 912 OD1 ASN A 407 63.445 -8.249 49.747 1.00 23.00 O ATOM 913 ND2 ASN A 407 65.286 -8.567 48.497 1.00 23.21 N ATOM 914 HD22 ASN A 407 65.806 -9.187 47.844 1.00 0.00 H ATOM 915 HD21 ASN A 407 65.691 -7.651 48.779 1.00 0.00 H ATOM 916 H ASN A 407 61.384 -9.050 49.525 1.00 0.00 H ATOM 917 N LEU A 408 62.242 -10.730 51.854 1.00 17.77 N ATOM 918 CA LEU A 408 62.627 -10.902 53.249 1.00 19.75 C ATOM 919 C LEU A 408 61.415 -11.332 54.065 1.00 20.46 C ATOM 920 O LEU A 408 60.758 -10.516 54.714 1.00 18.29 O ATOM 921 CB LEU A 408 63.236 -9.617 53.821 1.00 20.15 C ATOM 922 CG LEU A 408 63.939 -9.739 55.181 1.00 21.89 C ATOM 923 CD1 LEU A 408 65.096 -10.723 55.112 1.00 21.34 C ATOM 924 CD2 LEU A 408 64.419 -8.373 55.678 1.00 20.09 C ATOM 925 H LEU A 408 61.292 -10.373 51.627 1.00 0.00 H ATOM 926 N LEU A 409 61.128 -12.627 54.003 1.00 17.79 N ATOM 927 CA LEU A 409 60.000 -13.234 54.699 1.00 23.54 C ATOM 928 C LEU A 409 60.542 -14.112 55.823 1.00 24.24 C ATOM 929 O LEU A 409 61.126 -15.171 55.574 1.00 24.35 O ATOM 930 CB LEU A 409 59.148 -14.042 53.714 1.00 24.78 C ATOM 931 CG LEU A 409 57.904 -14.804 54.170 1.00 27.15 C ATOM 932 CD1 LEU A 409 56.838 -13.857 54.690 1.00 26.52 C ATOM 933 CD2 LEU A 409 57.369 -15.631 53.010 1.00 27.76 C ATOM 934 H LEU A 409 61.740 -13.240 53.428 1.00 0.00 H ATOM 935 N LEU A 410 60.364 -13.661 57.061 1.00 19.96 N ATOM 936 CA LEU A 410 61.010 -14.296 58.205 1.00 22.58 C ATOM 937 C LEU A 410 60.011 -14.995 59.122 1.00 25.94 C ATOM 938 O LEU A 410 58.930 -14.472 59.365 1.00 23.77 O ATOM 939 CB LEU A 410 61.796 -13.253 59.003 1.00 20.58 C ATOM 940 CG LEU A 410 62.848 -12.457 58.232 1.00 20.79 C ATOM 941 CD1 LEU A 410 63.452 -11.369 59.105 1.00 22.91 C ATOM 942 CD2 LEU A 410 63.939 -13.376 57.690 1.00 23.20 C ATOM 943 H LEU A 410 59.750 -12.836 57.218 1.00 0.00 H ATOM 944 N ASP A 411 60.366 -16.169 59.637 1.00 26.42 N ATOM 945 CA ASP A 411 59.546 -16.777 60.684 1.00 28.92 C ATOM 946 C ASP A 411 60.161 -16.464 62.044 1.00 28.15 C ATOM 947 O ASP A 411 61.198 -15.803 62.117 1.00 28.16 O ATOM 948 CB ASP A 411 59.367 -18.291 60.476 1.00 33.71 C ATOM 949 CG ASP A 411 60.673 -19.075 60.527 1.00 38.44 C ATOM 950 OD1 ASP A 411 61.713 -18.544 60.972 1.00 37.84 O ATOM 951 OD2 ASP A 411 60.646 -20.258 60.123 1.00 43.19 O ATOM 952 H ASP A 411 61.222 -16.652 59.297 1.00 0.00 H ATOM 953 N ARG A 412 59.525 -16.925 63.115 1.00 27.65 N ATOM 954 CA ARG A 412 59.930 -16.498 64.449 1.00 26.61 C ATOM 955 C ARG A 412 61.339 -16.981 64.787 1.00 26.30 C ATOM 956 O ARG A 412 62.073 -16.301 65.502 1.00 25.48 O ATOM 957 CB ARG A 412 58.925 -16.977 65.506 1.00 28.97 C ATOM 958 CG ARG A 412 59.230 -18.323 66.128 1.00 25.73 C ATOM 959 CD ARG A 412 58.240 -18.649 67.224 1.00 30.92 C ATOM 960 NE ARG A 412 58.504 -17.905 68.449 1.00 31.18 N ATOM 961 CZ ARG A 412 59.259 -18.357 69.446 1.00 33.35 C ATOM 962 NH1 ARG A 412 59.835 -19.551 69.357 1.00 31.73 N ATOM 963 NH2 ARG A 412 59.438 -17.618 70.533 1.00 31.35 N ATOM 964 HE ARG A 412 58.076 -16.963 68.550 1.00 0.00 H ATOM 965 HH12 ARG A 412 60.425 -19.903 70.138 1.00 0.00 H ATOM 966 HH11 ARG A 412 59.696 -20.133 68.507 1.00 0.00 H ATOM 967 HH22 ARG A 412 60.029 -17.973 71.312 1.00 0.00 H ATOM 968 HH21 ARG A 412 58.988 -16.684 70.606 1.00 0.00 H ATOM 969 H ARG A 412 58.736 -17.593 63.002 1.00 0.00 H ATOM 970 N ASN A 413 61.724 -18.134 64.245 1.00 25.21 N ATOM 971 CA ASN A 413 63.033 -18.704 64.524 1.00 28.03 C ATOM 972 C ASN A 413 64.159 -17.794 64.065 1.00 27.11 C ATOM 973 O ASN A 413 65.216 -17.736 64.691 1.00 26.47 O ATOM 974 CB ASN A 413 63.173 -20.075 63.864 1.00 31.72 C ATOM 975 CG ASN A 413 62.303 -21.117 64.517 1.00 39.51 C ATOM 976 OD1 ASN A 413 61.985 -21.016 65.703 1.00 38.57 O ATOM 977 ND2 ASN A 413 61.913 -22.132 63.751 1.00 47.13 N ATOM 978 HD22 ASN A 413 62.207 -22.174 62.754 1.00 0.00 H ATOM 979 HD21 ASN A 413 61.314 -22.883 64.149 1.00 0.00 H ATOM 980 H ASN A 413 61.075 -18.638 63.608 1.00 0.00 H ATOM 981 N GLN A 414 63.926 -17.079 62.973 1.00 26.39 N ATOM 982 CA GLN A 414 64.935 -16.179 62.434 1.00 25.90 C ATOM 983 C GLN A 414 65.036 -14.896 63.249 1.00 23.69 C ATOM 984 O GLN A 414 66.046 -14.197 63.194 1.00 29.20 O ATOM 985 CB GLN A 414 64.630 -15.874 60.970 1.00 25.12 C ATOM 986 CG GLN A 414 64.817 -17.091 60.081 1.00 30.08 C ATOM 987 CD GLN A 414 64.209 -16.917 58.710 1.00 34.13 C ATOM 988 OE1 GLN A 414 62.996 -16.774 58.576 1.00 32.00 O ATOM 989 NE2 GLN A 414 65.049 -16.927 57.681 1.00 38.06 N ATOM 990 HE22 GLN A 414 66.069 -17.051 57.843 1.00 0.00 H ATOM 991 HE21 GLN A 414 64.687 -16.811 56.713 1.00 0.00 H ATOM 992 H GLN A 414 63.007 -17.163 62.494 1.00 0.00 H ATOM 993 N GLY A 415 63.997 -14.594 64.015 1.00 23.60 N ATOM 994 CA GLY A 415 64.037 -13.462 64.920 1.00 23.99 C ATOM 995 C GLY A 415 65.033 -13.672 66.049 1.00 23.93 C ATOM 996 O GLY A 415 65.584 -12.710 66.582 1.00 23.13 O ATOM 997 H GLY A 415 63.139 -15.179 63.966 1.00 0.00 H ATOM 998 N LYS A 416 65.269 -14.935 66.405 1.00 19.32 N ATOM 999 CA LYS A 416 66.205 -15.290 67.473 1.00 19.96 C ATOM 1000 C LYS A 416 67.628 -14.865 67.135 1.00 25.23 C ATOM 1001 O LYS A 416 68.491 -14.821 68.006 1.00 28.96 O ATOM 1002 CB LYS A 416 66.173 -16.799 67.746 1.00 21.61 C ATOM 1003 CG LYS A 416 64.843 -17.329 68.287 1.00 22.20 C ATOM 1004 CD LYS A 416 64.913 -18.837 68.494 1.00 33.68 C ATOM 1005 CE LYS A 416 63.606 -19.404 69.018 1.00 35.35 C ATOM 1006 NZ LYS A 416 63.688 -20.878 69.226 1.00 39.24 N ATOM 1007 HZ1 LYS A 416 63.908 -21.343 68.322 1.00 0.00 H ATOM 1008 HZ2 LYS A 416 64.437 -21.088 69.916 1.00 0.00 H ATOM 1009 HZ3 LYS A 416 62.776 -21.228 69.584 1.00 0.00 H ATOM 1010 H LYS A 416 64.769 -15.697 65.905 1.00 0.00 H ATOM 1011 N CYS A 417 67.861 -14.562 65.862 1.00 25.96 N ATOM 1012 CA CYS A 417 69.166 -14.126 65.380 1.00 26.54 C ATOM 1013 C CYS A 417 69.613 -12.841 66.076 1.00 23.63 C ATOM 1014 O CYS A 417 70.811 -12.593 66.256 1.00 22.01 O ATOM 1015 CB CYS A 417 69.115 -13.919 63.866 1.00 29.07 C ATOM 1016 SG CYS A 417 70.589 -13.192 63.161 1.00 80.04 S ATOM 1017 H CYS A 417 67.079 -14.639 65.181 1.00 0.00 H ATOM 1018 N VAL A 418 68.632 -12.033 66.461 1.00 20.01 N ATOM 1019 CA VAL A 418 68.880 -10.768 67.134 1.00 19.27 C ATOM 1020 C VAL A 418 68.401 -10.853 68.573 1.00 22.27 C ATOM 1021 O VAL A 418 67.249 -11.204 68.824 1.00 22.37 O ATOM 1022 CB VAL A 418 68.172 -9.599 66.422 1.00 18.65 C ATOM 1023 CG1 VAL A 418 68.437 -8.285 67.157 1.00 20.13 C ATOM 1024 CG2 VAL A 418 68.632 -9.508 64.972 1.00 19.05 C ATOM 1025 H VAL A 418 67.649 -12.316 66.274 1.00 0.00 H ATOM 1026 N GLU A 419 69.285 -10.537 69.515 1.00 22.32 N ATOM 1027 CA GLU A 419 68.942 -10.599 70.931 1.00 24.94 C ATOM 1028 C GLU A 419 67.701 -9.762 71.234 1.00 22.59 C ATOM 1029 O GLU A 419 67.620 -8.594 70.855 1.00 22.00 O ATOM 1030 CB GLU A 419 70.116 -10.128 71.792 1.00 28.45 C ATOM 1031 H GLU A 419 70.242 -10.239 69.236 1.00 0.00 H ATOM 1032 N GLY A 420 66.727 -10.384 71.893 1.00 23.11 N ATOM 1033 CA GLY A 420 65.525 -9.701 72.338 1.00 25.32 C ATOM 1034 C GLY A 420 64.500 -9.445 71.251 1.00 23.39 C ATOM 1035 O GLY A 420 63.470 -8.818 71.487 1.00 24.74 O ATOM 1036 H GLY A 420 66.830 -11.398 72.097 1.00 0.00 H ATOM 1037 N MET A 421 64.778 -9.926 70.050 1.00 21.81 N ATOM 1038 CA MET A 421 63.906 -9.647 68.927 1.00 20.41 C ATOM 1039 C MET A 421 62.723 -10.615 68.815 1.00 19.56 C ATOM 1040 O MET A 421 61.643 -10.237 68.349 1.00 17.99 O ATOM 1041 CB MET A 421 64.712 -9.680 67.636 1.00 20.79 C ATOM 1042 CG MET A 421 63.842 -9.708 66.421 1.00 26.38 C ATOM 1043 SD MET A 421 63.368 -8.034 66.030 1.00 46.18 S ATOM 1044 CE MET A 421 64.864 -7.600 65.182 1.00 16.42 C ATOM 1045 H MET A 421 65.628 -10.508 69.911 1.00 0.00 H ATOM 1046 N VAL A 422 62.917 -11.864 69.232 1.00 19.89 N ATOM 1047 CA VAL A 422 61.892 -12.875 68.998 1.00 21.51 C ATOM 1048 C VAL A 422 60.602 -12.544 69.755 1.00 21.71 C ATOM 1049 O VAL A 422 59.510 -12.844 69.272 1.00 21.00 O ATOM 1050 CB VAL A 422 62.388 -14.300 69.365 1.00 24.05 C ATOM 1051 CG1 VAL A 422 62.594 -14.460 70.872 1.00 26.42 C ATOM 1052 CG2 VAL A 422 61.413 -15.343 68.833 1.00 25.73 C ATOM 1053 H VAL A 422 63.797 -12.119 69.724 1.00 0.00 H ATOM 1054 N GLU A 423 60.725 -11.890 70.909 1.00 20.54 N ATOM 1055 CA GLU A 423 59.553 -11.463 71.672 1.00 21.90 C ATOM 1056 C GLU A 423 58.702 -10.498 70.858 1.00 19.21 C ATOM 1057 O GLU A 423 57.476 -10.573 70.869 1.00 19.04 O ATOM 1058 CB GLU A 423 59.971 -10.807 72.991 1.00 26.77 C ATOM 1059 H GLU A 423 61.675 -11.679 71.275 1.00 0.00 H ATOM 1060 N ILE A 424 59.360 -9.592 70.147 1.00 17.47 N ATOM 1061 CA ILE A 424 58.659 -8.626 69.311 1.00 18.13 C ATOM 1062 C ILE A 424 58.082 -9.296 68.063 1.00 16.03 C ATOM 1063 O ILE A 424 56.968 -8.977 67.643 1.00 14.71 O ATOM 1064 CB ILE A 424 59.595 -7.471 68.916 1.00 18.51 C ATOM 1065 CG1 ILE A 424 60.066 -6.750 70.180 1.00 24.77 C ATOM 1066 CG2 ILE A 424 58.900 -6.500 67.967 1.00 17.16 C ATOM 1067 CD1 ILE A 424 61.296 -5.915 69.991 1.00 28.92 C ATOM 1068 H ILE A 424 60.399 -9.571 70.187 1.00 0.00 H ATOM 1069 N PHE A 425 58.833 -10.226 67.473 1.00 15.21 N ATOM 1070 CA PHE A 425 58.284 -11.020 66.376 1.00 18.09 C ATOM 1071 C PHE A 425 56.994 -11.707 66.837 1.00 16.06 C ATOM 1072 O PHE A 425 55.975 -11.672 66.139 1.00 15.27 O ATOM 1073 CB PHE A 425 59.280 -12.075 65.874 1.00 20.75 C ATOM 1074 CG PHE A 425 60.200 -11.593 64.779 1.00 22.22 C ATOM 1075 CD1 PHE A 425 60.651 -10.282 64.744 1.00 21.23 C ATOM 1076 CD2 PHE A 425 60.623 -12.469 63.787 1.00 24.37 C ATOM 1077 CE1 PHE A 425 61.502 -9.853 63.740 1.00 21.91 C ATOM 1078 CE2 PHE A 425 61.469 -12.048 62.783 1.00 24.76 C ATOM 1079 CZ PHE A 425 61.915 -10.738 62.757 1.00 25.33 C ATOM 1080 H PHE A 425 59.809 -10.386 67.793 1.00 0.00 H ATOM 1081 N ASP A 426 57.038 -12.311 68.023 1.00 15.03 N ATOM 1082 CA ASP A 426 55.886 -13.047 68.542 1.00 18.59 C ATOM 1083 C ASP A 426 54.648 -12.156 68.664 1.00 17.06 C ATOM 1084 O ASP A 426 53.542 -12.580 68.341 1.00 17.71 O ATOM 1085 CB ASP A 426 56.213 -13.686 69.897 1.00 19.60 C ATOM 1086 CG ASP A 426 57.065 -14.944 69.761 1.00 26.32 C ATOM 1087 OD1 ASP A 426 57.082 -15.536 68.660 1.00 27.92 O ATOM 1088 OD2 ASP A 426 57.711 -15.352 70.756 1.00 28.57 O ATOM 1089 H ASP A 426 57.908 -12.258 68.591 1.00 0.00 H ATOM 1090 N MET A 427 54.841 -10.919 69.107 1.00 15.98 N ATOM 1091 CA MET A 427 53.718 -9.995 69.228 1.00 17.97 C ATOM 1092 C MET A 427 53.183 -9.599 67.854 1.00 15.94 C ATOM 1093 O MET A 427 51.970 -9.559 67.628 1.00 16.90 O ATOM 1094 CB MET A 427 54.134 -8.760 70.024 1.00 19.34 C ATOM 1095 CG MET A 427 54.454 -9.074 71.470 1.00 23.19 C ATOM 1096 SD MET A 427 54.646 -7.603 72.479 1.00 33.50 S ATOM 1097 CE MET A 427 56.009 -6.796 71.648 1.00 22.20 C ATOM 1098 H MET A 427 55.798 -10.607 69.369 1.00 0.00 H ATOM 1099 N LEU A 428 54.094 -9.323 66.929 1.00 12.95 N ATOM 1100 CA LEU A 428 53.707 -8.961 65.573 1.00 12.78 C ATOM 1101 C LEU A 428 52.947 -10.091 64.891 1.00 14.97 C ATOM 1102 O LEU A 428 51.960 -9.848 64.201 1.00 15.36 O ATOM 1103 CB LEU A 428 54.936 -8.578 64.751 1.00 11.25 C ATOM 1104 CG LEU A 428 55.556 -7.240 65.157 1.00 13.75 C ATOM 1105 CD1 LEU A 428 56.979 -7.112 64.626 1.00 12.16 C ATOM 1106 CD2 LEU A 428 54.702 -6.065 64.692 1.00 12.60 C ATOM 1107 H LEU A 428 55.103 -9.366 67.177 1.00 0.00 H ATOM 1108 N LEU A 429 53.412 -11.320 65.091 1.00 15.46 N ATOM 1109 CA LEU A 429 52.757 -12.495 64.524 1.00 16.55 C ATOM 1110 C LEU A 429 51.352 -12.686 65.093 1.00 20.19 C ATOM 1111 O LEU A 429 50.427 -13.052 64.366 1.00 20.88 O ATOM 1112 CB LEU A 429 53.596 -13.752 64.771 1.00 16.55 C ATOM 1113 CG LEU A 429 54.859 -13.910 63.918 1.00 19.21 C ATOM 1114 CD1 LEU A 429 55.712 -15.057 64.427 1.00 21.85 C ATOM 1115 CD2 LEU A 429 54.496 -14.122 62.459 1.00 18.24 C ATOM 1116 H LEU A 429 54.267 -11.448 65.668 1.00 0.00 H ATOM 1117 N ALA A 430 51.197 -12.441 66.392 1.00 18.93 N ATOM 1118 CA ALA A 430 49.889 -12.582 67.034 1.00 19.87 C ATOM 1119 C ALA A 430 48.902 -11.543 66.497 1.00 18.14 C ATOM 1120 O ALA A 430 47.705 -11.813 66.369 1.00 18.11 O ATOM 1121 CB ALA A 430 50.016 -12.463 68.558 1.00 17.84 C ATOM 1122 H ALA A 430 52.017 -12.145 66.959 1.00 0.00 H ATOM 1123 N THR A 431 49.409 -10.352 66.192 1.00 19.88 N ATOM 1124 CA THR A 431 48.577 -9.278 65.658 1.00 19.55 C ATOM 1125 C THR A 431 48.156 -9.596 64.231 1.00 18.43 C ATOM 1126 O THR A 431 47.029 -9.312 63.837 1.00 16.56 O ATOM 1127 CB THR A 431 49.306 -7.920 65.690 1.00 18.26 C ATOM 1128 OG1 THR A 431 49.712 -7.634 67.031 1.00 22.35 O ATOM 1129 CG2 THR A 431 48.394 -6.804 65.209 1.00 17.21 C ATOM 1130 HG1 THR A 431 50.322 -8.346 67.349 1.00 0.00 H ATOM 1131 H THR A 431 50.425 -10.181 66.338 1.00 0.00 H ATOM 1132 N SER A 432 49.068 -10.191 63.462 1.00 14.96 N ATOM 1133 CA SER A 432 48.746 -10.642 62.116 1.00 18.88 C ATOM 1134 C SER A 432 47.641 -11.696 62.148 1.00 19.08 C ATOM 1135 O SER A 432 46.719 -11.665 61.330 1.00 19.41 O ATOM 1136 CB SER A 432 49.992 -11.195 61.426 1.00 23.08 C ATOM 1137 OG SER A 432 49.762 -11.358 60.039 1.00 29.05 O ATOM 1138 HG SER A 432 50.579 -11.717 59.610 1.00 0.00 H ATOM 1139 H SER A 432 50.029 -10.336 63.831 1.00 0.00 H ATOM 1140 N SER A 433 47.736 -12.618 63.104 1.00 19.02 N ATOM 1141 CA SER A 433 46.711 -13.637 63.307 1.00 21.35 C ATOM 1142 C SER A 433 45.358 -13.028 63.656 1.00 19.67 C ATOM 1143 O SER A 433 44.318 -13.513 63.201 1.00 21.56 O ATOM 1144 CB SER A 433 47.132 -14.612 64.408 1.00 27.35 C ATOM 1145 OG SER A 433 48.320 -15.296 64.052 1.00 34.69 O ATOM 1146 HG SER A 433 49.048 -14.640 63.912 1.00 0.00 H ATOM 1147 H SER A 433 48.569 -12.612 63.727 1.00 0.00 H ATOM 1148 N ARG A 434 45.374 -11.972 64.466 1.00 18.77 N ATOM 1149 CA ARG A 434 44.145 -11.278 64.854 1.00 19.53 C ATOM 1150 C ARG A 434 43.492 -10.606 63.640 1.00 17.60 C ATOM 1151 O ARG A 434 42.270 -10.656 63.482 1.00 19.00 O ATOM 1152 CB ARG A 434 44.436 -10.246 65.953 1.00 19.36 C ATOM 1153 CG ARG A 434 43.274 -9.322 66.317 1.00 24.65 C ATOM 1154 CD ARG A 434 42.079 -10.075 66.900 1.00 30.51 C ATOM 1155 NE ARG A 434 41.037 -9.156 67.355 1.00 30.79 N ATOM 1156 CZ ARG A 434 39.771 -9.502 67.556 1.00 33.47 C ATOM 1157 NH1 ARG A 434 39.381 -10.750 67.338 1.00 36.36 N ATOM 1158 NH2 ARG A 434 38.891 -8.600 67.970 1.00 33.41 N ATOM 1159 HE ARG A 434 41.305 -8.167 67.533 1.00 0.00 H ATOM 1160 HH12 ARG A 434 38.389 -11.020 67.496 1.00 0.00 H ATOM 1161 HH11 ARG A 434 40.067 -11.459 67.009 1.00 0.00 H ATOM 1162 HH22 ARG A 434 37.900 -8.874 68.127 1.00 0.00 H ATOM 1163 HH21 ARG A 434 39.192 -7.619 68.138 1.00 0.00 H ATOM 1164 H ARG A 434 46.285 -11.630 64.833 1.00 0.00 H ATOM 1165 N PHE A 435 44.283 -10.004 62.760 1.00 16.03 N ATOM 1166 CA PHE A 435 43.795 -9.420 61.547 1.00 18.46 C ATOM 1167 C PHE A 435 43.127 -10.481 60.671 1.00 18.18 C ATOM 1168 O PHE A 435 42.151 -10.243 60.025 1.00 18.08 O ATOM 1169 CB PHE A 435 44.930 -8.838 60.722 1.00 20.92 C ATOM 1170 CG PHE A 435 45.392 -7.487 61.159 1.00 26.06 C ATOM 1171 CD1 PHE A 435 45.248 -7.062 62.426 1.00 25.38 C ATOM 1172 CD2 PHE A 435 46.005 -6.663 60.261 1.00 26.44 C ATOM 1173 CE1 PHE A 435 45.693 -5.825 62.780 1.00 27.04 C ATOM 1174 CE2 PHE A 435 46.435 -5.427 60.614 1.00 24.20 C ATOM 1175 CZ PHE A 435 46.274 -5.015 61.877 1.00 23.90 C ATOM 1176 H PHE A 435 45.302 -9.954 62.960 1.00 0.00 H ATOM 1177 N ARG A 436 43.756 -11.634 60.635 1.00 18.87 N ATOM 1178 CA ARG A 436 43.236 -12.739 59.841 1.00 23.99 C ATOM 1179 C ARG A 436 41.916 -13.242 60.414 1.00 25.99 C ATOM 1180 O ARG A 436 40.967 -13.505 59.675 1.00 26.31 O ATOM 1181 CB ARG A 436 44.262 -13.873 59.780 1.00 28.33 C ATOM 1182 CG ARG A 436 43.995 -14.910 58.701 1.00 34.66 C ATOM 1183 CD ARG A 436 45.126 -15.930 58.631 1.00 34.52 C ATOM 1184 NE ARG A 436 46.429 -15.281 58.714 1.00 33.77 N ATOM 1185 CZ ARG A 436 47.278 -15.425 59.728 1.00 33.57 C ATOM 1186 NH1 ARG A 436 46.970 -16.216 60.747 1.00 36.32 N ATOM 1187 NH2 ARG A 436 48.439 -14.783 59.717 1.00 28.39 N ATOM 1188 HE ARG A 436 46.714 -14.664 57.927 1.00 0.00 H ATOM 1189 HH12 ARG A 436 47.635 -16.327 61.539 1.00 0.00 H ATOM 1190 HH11 ARG A 436 46.063 -16.725 60.754 1.00 0.00 H ATOM 1191 HH22 ARG A 436 49.103 -14.895 60.510 1.00 0.00 H ATOM 1192 HH21 ARG A 436 48.685 -14.167 58.916 1.00 0.00 H ATOM 1193 H ARG A 436 44.634 -11.759 61.179 1.00 0.00 H ATOM 1194 N MET A 437 41.864 -13.365 61.738 1.00 24.59 N ATOM 1195 CA MET A 437 40.652 -13.799 62.421 1.00 25.26 C ATOM 1196 C MET A 437 39.498 -12.826 62.180 1.00 25.44 C ATOM 1197 O MET A 437 38.343 -13.240 62.059 1.00 28.18 O ATOM 1198 CB MET A 437 40.909 -13.947 63.924 1.00 26.35 C ATOM 1199 H MET A 437 42.711 -13.146 62.300 1.00 0.00 H ATOM 1200 N MET A 438 39.819 -11.537 62.114 1.00 23.80 N ATOM 1201 CA MET A 438 38.819 -10.495 61.888 1.00 23.89 C ATOM 1202 C MET A 438 38.452 -10.309 60.419 1.00 24.79 C ATOM 1203 O MET A 438 37.482 -9.608 60.101 1.00 24.15 O ATOM 1204 CB MET A 438 39.318 -9.157 62.428 1.00 26.81 C ATOM 1205 CG MET A 438 39.501 -9.098 63.920 1.00 31.06 C ATOM 1206 SD MET A 438 39.646 -7.379 64.440 1.00 29.78 S ATOM 1207 CE MET A 438 38.004 -6.795 64.020 1.00 22.68 C ATOM 1208 H MET A 438 40.815 -11.261 62.227 1.00 0.00 H ATOM 1209 N ASN A 439 39.242 -10.910 59.531 1.00 25.66 N ATOM 1210 CA ASN A 439 39.136 -10.660 58.096 1.00 25.56 C ATOM 1211 C ASN A 439 39.222 -9.161 57.789 1.00 22.14 C ATOM 1212 O ASN A 439 38.369 -8.606 57.094 1.00 22.95 O ATOM 1213 CB ASN A 439 37.835 -11.256 57.543 1.00 29.89 C ATOM 1214 CG ASN A 439 37.814 -11.314 56.026 1.00 33.80 C ATOM 1215 OD1 ASN A 439 38.859 -11.280 55.378 1.00 35.64 O ATOM 1216 ND2 ASN A 439 36.619 -11.401 55.454 1.00 37.18 N ATOM 1217 HD22 ASN A 439 35.762 -11.427 56.042 1.00 0.00 H ATOM 1218 HD21 ASN A 439 36.540 -11.443 54.418 1.00 0.00 H ATOM 1219 H ASN A 439 39.960 -11.581 59.872 1.00 0.00 H ATOM 1220 N LEU A 440 40.256 -8.515 58.325 1.00 19.40 N ATOM 1221 CA LEU A 440 40.490 -7.092 58.098 1.00 18.29 C ATOM 1222 C LEU A 440 40.578 -6.779 56.611 1.00 21.57 C ATOM 1223 O LEU A 440 41.336 -7.419 55.884 1.00 23.59 O ATOM 1224 CB LEU A 440 41.776 -6.634 58.788 1.00 17.38 C ATOM 1225 CG LEU A 440 42.036 -5.139 58.596 1.00 17.73 C ATOM 1226 CD1 LEU A 440 41.075 -4.334 59.459 1.00 23.32 C ATOM 1227 CD2 LEU A 440 43.472 -4.764 58.885 1.00 21.02 C ATOM 1228 H LEU A 440 40.920 -9.043 58.926 1.00 0.00 H ATOM 1229 N GLN A 441 39.799 -5.796 56.171 1.00 20.60 N ATOM 1230 CA GLN A 441 39.770 -5.384 54.768 1.00 21.22 C ATOM 1231 C GLN A 441 40.749 -4.244 54.504 1.00 18.79 C ATOM 1232 O GLN A 441 41.085 -3.487 55.414 1.00 17.54 O ATOM 1233 CB GLN A 441 38.359 -4.948 54.367 1.00 19.51 C ATOM 1234 CG GLN A 441 37.314 -6.018 54.571 1.00 23.40 C ATOM 1235 CD GLN A 441 37.526 -7.193 53.650 1.00 28.33 C ATOM 1236 OE1 GLN A 441 37.389 -7.069 52.434 1.00 34.95 O ATOM 1237 NE2 GLN A 441 37.879 -8.340 54.220 1.00 27.48 N ATOM 1238 HE22 GLN A 441 37.983 -8.397 55.253 1.00 0.00 H ATOM 1239 HE21 GLN A 441 38.052 -9.181 53.633 1.00 0.00 H ATOM 1240 H GLN A 441 39.187 -5.301 56.850 1.00 0.00 H ATOM 1241 N GLY A 442 41.179 -4.120 53.252 1.00 18.19 N ATOM 1242 CA GLY A 442 42.115 -3.082 52.861 1.00 18.58 C ATOM 1243 C GLY A 442 41.616 -1.681 53.164 1.00 18.40 C ATOM 1244 O GLY A 442 42.381 -0.820 53.591 1.00 17.96 O ATOM 1245 H GLY A 442 40.835 -4.786 52.532 1.00 0.00 H ATOM 1246 N GLU A 443 40.326 -1.450 52.952 1.00 18.89 N ATOM 1247 CA GLU A 443 39.751 -0.135 53.213 1.00 18.32 C ATOM 1248 C GLU A 443 39.747 0.174 54.710 1.00 14.70 C ATOM 1249 O GLU A 443 39.904 1.331 55.113 1.00 17.07 O ATOM 1250 CB GLU A 443 38.331 -0.045 52.643 1.00 21.38 C ATOM 1251 CG GLU A 443 38.246 -0.238 51.135 1.00 29.69 C ATOM 1252 CD GLU A 443 37.988 -1.683 50.729 1.00 37.76 C ATOM 1253 OE1 GLU A 443 38.494 -2.605 51.409 1.00 35.56 O ATOM 1254 OE2 GLU A 443 37.267 -1.892 49.729 1.00 44.88 O ATOM 1255 H GLU A 443 39.718 -2.215 52.596 1.00 0.00 H ATOM 1256 N GLU A 444 39.566 -0.852 55.536 1.00 17.71 N ATOM 1257 CA GLU A 444 39.653 -0.672 56.982 1.00 17.70 C ATOM 1258 C GLU A 444 41.097 -0.406 57.409 1.00 16.67 C ATOM 1259 O GLU A 444 41.362 0.428 58.286 1.00 16.48 O ATOM 1260 CB GLU A 444 39.103 -1.898 57.710 1.00 18.13 C ATOM 1261 CG GLU A 444 37.610 -2.118 57.526 1.00 19.36 C ATOM 1262 CD GLU A 444 37.136 -3.449 58.082 1.00 21.45 C ATOM 1263 OE1 GLU A 444 37.925 -4.417 58.074 1.00 19.31 O ATOM 1264 OE2 GLU A 444 35.975 -3.528 58.531 1.00 21.38 O ATOM 1265 H GLU A 444 39.360 -1.794 55.147 1.00 0.00 H ATOM 1266 N PHE A 445 42.030 -1.116 56.785 1.00 16.46 N ATOM 1267 CA PHE A 445 43.443 -0.957 57.102 1.00 14.22 C ATOM 1268 C PHE A 445 43.926 0.481 56.901 1.00 14.98 C ATOM 1269 O PHE A 445 44.577 1.046 57.782 1.00 12.81 O ATOM 1270 CB PHE A 445 44.291 -1.921 56.263 1.00 14.86 C ATOM 1271 CG PHE A 445 45.748 -1.542 56.189 1.00 15.96 C ATOM 1272 CD1 PHE A 445 46.590 -1.717 57.285 1.00 12.52 C ATOM 1273 CD2 PHE A 445 46.276 -1.010 55.026 1.00 15.81 C ATOM 1274 CE1 PHE A 445 47.932 -1.361 57.210 1.00 11.51 C ATOM 1275 CE2 PHE A 445 47.618 -0.653 54.944 1.00 16.68 C ATOM 1276 CZ PHE A 445 48.447 -0.829 56.039 1.00 15.53 C ATOM 1277 H PHE A 445 41.746 -1.800 56.055 1.00 0.00 H ATOM 1278 N VAL A 446 43.603 1.083 55.760 1.00 13.71 N ATOM 1279 CA VAL A 446 44.096 2.431 55.498 1.00 14.64 C ATOM 1280 C VAL A 446 43.474 3.442 56.461 1.00 14.19 C ATOM 1281 O VAL A 446 44.137 4.400 56.841 1.00 13.05 O ATOM 1282 CB VAL A 446 43.868 2.890 54.022 1.00 13.86 C ATOM 1283 CG1 VAL A 446 44.671 2.015 53.071 1.00 14.37 C ATOM 1284 CG2 VAL A 446 42.392 2.916 53.642 1.00 14.58 C ATOM 1285 H VAL A 446 43.005 0.598 55.061 1.00 0.00 H ATOM 1286 N CYS A 447 42.224 3.227 56.868 1.00 13.52 N ATOM 1287 CA CYS A 447 41.607 4.103 57.866 1.00 14.04 C ATOM 1288 C CYS A 447 42.356 4.019 59.198 1.00 11.70 C ATOM 1289 O CYS A 447 42.616 5.037 59.841 1.00 11.44 O ATOM 1290 CB CYS A 447 40.135 3.747 58.085 1.00 14.04 C ATOM 1291 SG CYS A 447 39.011 4.221 56.758 1.00 19.21 S ATOM 1292 H CYS A 447 41.682 2.431 56.474 1.00 0.00 H ATOM 1293 N LEU A 448 42.693 2.798 59.613 1.00 10.71 N ATOM 1294 CA LEU A 448 43.409 2.586 60.869 1.00 11.91 C ATOM 1295 C LEU A 448 44.787 3.234 60.856 1.00 13.88 C ATOM 1296 O LEU A 448 45.231 3.808 61.855 1.00 8.63 O ATOM 1297 CB LEU A 448 43.555 1.091 61.156 1.00 13.03 C ATOM 1298 CG LEU A 448 42.286 0.341 61.540 1.00 16.09 C ATOM 1299 CD1 LEU A 448 42.633 -1.110 61.816 1.00 16.65 C ATOM 1300 CD2 LEU A 448 41.629 0.997 62.764 1.00 19.62 C ATOM 1301 H LEU A 448 42.440 1.976 59.028 1.00 0.00 H ATOM 1302 N LYS A 449 45.466 3.135 59.718 1.00 12.87 N ATOM 1303 CA LYS A 449 46.806 3.685 59.603 1.00 14.44 C ATOM 1304 C LYS A 449 46.780 5.210 59.721 1.00 12.56 C ATOM 1305 O LYS A 449 47.657 5.807 60.354 1.00 12.40 O ATOM 1306 CB LYS A 449 47.450 3.251 58.284 1.00 13.80 C ATOM 1307 CG LYS A 449 48.938 3.530 58.215 1.00 16.47 C ATOM 1308 CD LYS A 449 49.608 2.696 57.134 1.00 19.06 C ATOM 1309 CE LYS A 449 48.993 2.964 55.783 1.00 20.94 C ATOM 1310 NZ LYS A 449 49.955 2.610 54.702 1.00 22.52 N ATOM 1311 HZ1 LYS A 449 50.817 3.183 54.805 1.00 0.00 H ATOM 1312 HZ2 LYS A 449 50.198 1.601 54.773 1.00 0.00 H ATOM 1313 HZ3 LYS A 449 49.520 2.799 53.777 1.00 0.00 H ATOM 1314 H LYS A 449 45.034 2.659 58.901 1.00 0.00 H ATOM 1315 N SER A 450 45.766 5.829 59.124 1.00 10.59 N ATOM 1316 CA SER A 450 45.616 7.276 59.202 1.00 12.55 C ATOM 1317 C SER A 450 45.234 7.715 60.609 1.00 11.69 C ATOM 1318 O SER A 450 45.643 8.782 61.062 1.00 11.81 O ATOM 1319 CB SER A 450 44.577 7.771 58.198 1.00 15.95 C ATOM 1320 OG SER A 450 45.125 7.827 56.896 1.00 18.08 O ATOM 1321 HG SER A 450 45.425 6.923 56.626 1.00 0.00 H ATOM 1322 H SER A 450 45.068 5.271 58.592 1.00 0.00 H ATOM 1323 N ILE A 451 44.442 6.894 61.290 1.00 11.25 N ATOM 1324 CA ILE A 451 44.054 7.176 62.674 1.00 12.45 C ATOM 1325 C ILE A 451 45.298 7.188 63.561 1.00 12.16 C ATOM 1326 O ILE A 451 45.478 8.103 64.369 1.00 11.95 O ATOM 1327 CB ILE A 451 43.019 6.159 63.202 1.00 13.72 C ATOM 1328 CG1 ILE A 451 41.658 6.436 62.557 1.00 16.14 C ATOM 1329 CG2 ILE A 451 42.896 6.242 64.725 1.00 13.71 C ATOM 1330 CD1 ILE A 451 40.615 5.361 62.806 1.00 19.04 C ATOM 1331 H ILE A 451 44.089 6.031 60.830 1.00 0.00 H ATOM 1332 N ILE A 452 46.172 6.202 63.377 1.00 11.26 N ATOM 1333 CA ILE A 452 47.421 6.151 64.135 1.00 11.83 C ATOM 1334 C ILE A 452 48.239 7.432 63.933 1.00 11.15 C ATOM 1335 O ILE A 452 48.713 8.023 64.904 1.00 11.81 O ATOM 1336 CB ILE A 452 48.275 4.928 63.746 1.00 12.49 C ATOM 1337 CG1 ILE A 452 47.641 3.636 64.262 1.00 10.12 C ATOM 1338 CG2 ILE A 452 49.702 5.059 64.301 1.00 13.19 C ATOM 1339 CD1 ILE A 452 48.331 2.376 63.728 1.00 15.91 C ATOM 1340 H ILE A 452 45.963 5.456 62.683 1.00 0.00 H ATOM 1341 N LEU A 453 48.384 7.870 62.681 1.00 8.53 N ATOM 1342 CA LEU A 453 49.150 9.081 62.389 1.00 11.52 C ATOM 1343 C LEU A 453 48.579 10.284 63.133 1.00 14.03 C ATOM 1344 O LEU A 453 49.314 11.045 63.764 1.00 13.83 O ATOM 1345 CB LEU A 453 49.178 9.362 60.881 1.00 9.40 C ATOM 1346 CG LEU A 453 49.712 10.732 60.451 1.00 10.95 C ATOM 1347 CD1 LEU A 453 51.207 10.855 60.772 1.00 14.88 C ATOM 1348 CD2 LEU A 453 49.442 10.982 58.960 1.00 11.15 C ATOM 1349 H LEU A 453 47.945 7.342 61.900 1.00 0.00 H ATOM 1350 N LEU A 454 47.260 10.432 63.082 1.00 12.01 N ATOM 1351 CA LEU A 454 46.612 11.607 63.660 1.00 11.62 C ATOM 1352 C LEU A 454 46.400 11.523 65.177 1.00 13.21 C ATOM 1353 O LEU A 454 46.342 12.554 65.851 1.00 16.60 O ATOM 1354 CB LEU A 454 45.269 11.847 62.971 1.00 12.17 C ATOM 1355 CG LEU A 454 45.375 12.256 61.501 1.00 17.42 C ATOM 1356 CD1 LEU A 454 44.012 12.271 60.859 1.00 20.71 C ATOM 1357 CD2 LEU A 454 46.039 13.619 61.384 1.00 21.14 C ATOM 1358 H LEU A 454 46.680 9.701 62.624 1.00 0.00 H ATOM 1359 N ASN A 455 46.284 10.313 65.713 1.00 11.66 N ATOM 1360 CA ASN A 455 45.975 10.148 67.138 1.00 12.43 C ATOM 1361 C ASN A 455 47.175 10.018 68.074 1.00 14.53 C ATOM 1362 O ASN A 455 47.147 10.524 69.193 1.00 16.25 O ATOM 1363 CB ASN A 455 45.076 8.921 67.349 1.00 17.61 C ATOM 1364 CG ASN A 455 44.783 8.660 68.820 1.00 16.98 C ATOM 1365 OD1 ASN A 455 44.101 9.449 69.476 1.00 18.09 O ATOM 1366 ND2 ASN A 455 45.298 7.553 69.344 1.00 14.01 N ATOM 1367 HD22 ASN A 455 45.868 6.915 68.753 1.00 0.00 H ATOM 1368 HD21 ASN A 455 45.131 7.325 70.345 1.00 0.00 H ATOM 1369 H ASN A 455 46.414 9.472 65.115 1.00 0.00 H ATOM 1370 N SER A 456 48.218 9.328 67.632 1.00 13.59 N ATOM 1371 CA SER A 456 49.217 8.846 68.575 1.00 18.20 C ATOM 1372 C SER A 456 49.902 9.973 69.341 1.00 18.48 C ATOM 1373 O SER A 456 50.179 9.835 70.534 1.00 22.17 O ATOM 1374 CB SER A 456 50.243 7.975 67.853 1.00 22.34 C ATOM 1375 OG SER A 456 49.656 6.721 67.545 1.00 20.90 O ATOM 1376 HG SER A 456 50.319 6.154 67.077 1.00 0.00 H ATOM 1377 H SER A 456 48.322 9.132 66.616 1.00 0.00 H ATOM 1378 N GLY A 457 50.131 11.099 68.681 1.00 13.54 N ATOM 1379 CA GLY A 457 50.787 12.214 69.337 1.00 16.83 C ATOM 1380 C GLY A 457 49.874 13.402 69.582 1.00 19.43 C ATOM 1381 O GLY A 457 50.341 14.489 69.927 1.00 22.78 O ATOM 1382 H GLY A 457 49.839 11.184 67.687 1.00 0.00 H ATOM 1383 N VAL A 458 48.571 13.199 69.419 1.00 21.26 N ATOM 1384 CA VAL A 458 47.640 14.323 69.424 1.00 21.69 C ATOM 1385 C VAL A 458 47.411 14.918 70.815 1.00 28.04 C ATOM 1386 O VAL A 458 47.085 16.100 70.930 1.00 31.15 O ATOM 1387 CB VAL A 458 46.271 13.927 68.795 1.00 27.35 C ATOM 1388 CG1 VAL A 458 45.426 13.104 69.759 1.00 25.40 C ATOM 1389 CG2 VAL A 458 45.517 15.165 68.332 1.00 30.90 C ATOM 1390 H VAL A 458 48.212 12.232 69.287 1.00 0.00 H ATOM 1391 N TYR A 459 47.558 14.136 71.853 1.00 23.21 N ATOM 1392 CA TYR A 459 47.369 14.708 73.166 1.00 30.41 C ATOM 1393 C TYR A 459 48.658 15.364 73.655 1.00 34.06 C ATOM 1394 O TYR A 459 48.590 16.273 74.438 1.00 38.64 O ATOM 1395 CB TYR A 459 46.689 13.752 74.152 1.00 33.94 C ATOM 1396 CG TYR A 459 45.324 13.415 73.647 1.00 39.99 C ATOM 1397 CD2 TYR A 459 44.834 12.162 73.701 1.00 39.63 C ATOM 1398 CE2 TYR A 459 43.610 11.865 73.193 1.00 41.51 C ATOM 1399 CZ TYR A 459 42.842 12.822 72.583 1.00 46.94 C ATOM 1400 H TYR A 459 47.804 13.132 71.737 1.00 0.00 H ATOM 1401 N THR A 460 49.813 15.026 73.081 1.00 35.87 N ATOM 1402 CA THR A 460 51.041 15.788 73.302 1.00 37.83 C ATOM 1403 C THR A 460 50.970 17.150 72.642 1.00 41.48 C ATOM 1404 O THR A 460 50.289 18.049 73.110 1.00 46.83 O ATOM 1405 CB THR A 460 52.345 15.112 72.814 1.00 20.00 C ATOM 1406 OG1 THR A 460 52.176 13.737 72.592 1.00 20.00 O ATOM 1407 CG2 THR A 460 53.470 15.242 73.816 1.00 20.00 C ATOM 1408 HG1 THR A 460 51.480 13.598 71.902 1.00 0.00 H ATOM 1409 H THR A 460 49.841 14.195 72.457 1.00 0.00 H TER 1410 THR A 460 ATOM 1411 N ASP A 473 41.301 20.680 67.769 1.00 46.70 N ATOM 1412 CA ASP A 473 39.922 20.371 67.405 1.00 46.23 C ATOM 1413 C ASP A 473 39.833 19.982 65.936 1.00 45.01 C ATOM 1414 O ASP A 473 39.052 19.106 65.564 1.00 44.74 O ATOM 1415 CB ASP A 473 39.007 21.562 67.694 1.00 49.53 C ATOM 1416 HN3 ASP A 473 41.643 21.472 67.188 1.00 0.00 H ATOM 1417 HN2 ASP A 473 41.898 19.844 67.603 1.00 0.00 H ATOM 1418 HN1 ASP A 473 41.342 20.943 68.774 1.00 0.00 H ATOM 1419 N HIS A 474 40.633 20.652 65.112 1.00 47.16 N ATOM 1420 CA HIS A 474 40.754 20.328 63.695 1.00 45.20 C ATOM 1421 C HIS A 474 41.110 18.856 63.516 1.00 37.83 C ATOM 1422 O HIS A 474 40.470 18.140 62.746 1.00 35.16 O ATOM 1423 CB HIS A 474 41.807 21.228 63.037 1.00 49.50 C ATOM 1424 CG HIS A 474 42.260 20.757 61.689 1.00 49.46 C ATOM 1425 ND1 HIS A 474 41.404 20.622 60.617 1.00 48.60 N ATOM 1426 CD2 HIS A 474 43.487 20.401 61.237 1.00 51.08 C ATOM 1427 CE1 HIS A 474 42.082 20.195 59.566 1.00 49.61 C ATOM 1428 NE2 HIS A 474 43.348 20.055 59.915 1.00 50.55 N ATOM 1429 H HIS A 474 41.195 21.439 65.493 1.00 0.00 H ATOM 1430 N ILE A 475 42.124 18.405 64.248 1.00 35.80 N ATOM 1431 CA ILE A 475 42.548 17.013 64.182 1.00 32.34 C ATOM 1432 C ILE A 475 41.426 16.075 64.620 1.00 26.88 C ATOM 1433 O ILE A 475 41.210 15.019 64.021 1.00 23.15 O ATOM 1434 CB ILE A 475 43.788 16.751 65.055 1.00 35.61 C ATOM 1435 CG1 ILE A 475 44.930 17.689 64.665 1.00 40.78 C ATOM 1436 CG2 ILE A 475 44.231 15.305 64.922 1.00 35.10 C ATOM 1437 CD1 ILE A 475 46.254 17.339 65.311 1.00 42.69 C ATOM 1438 H ILE A 475 42.625 19.060 64.881 1.00 0.00 H ATOM 1439 N HIS A 476 40.702 16.462 65.660 1.00 29.87 N ATOM 1440 CA HIS A 476 39.644 15.606 66.179 1.00 31.51 C ATOM 1441 C HIS A 476 38.458 15.528 65.227 1.00 29.72 C ATOM 1442 O HIS A 476 37.743 14.525 65.190 1.00 21.55 O ATOM 1443 CB HIS A 476 39.206 16.091 67.556 1.00 35.42 C ATOM 1444 CG HIS A 476 40.147 15.689 68.646 1.00 40.71 C ATOM 1445 ND1 HIS A 476 40.996 16.579 69.266 1.00 46.16 N ATOM 1446 CD2 HIS A 476 40.398 14.479 69.199 1.00 41.72 C ATOM 1447 CE1 HIS A 476 41.718 15.938 70.168 1.00 46.64 C ATOM 1448 NE2 HIS A 476 41.375 14.662 70.147 1.00 43.60 N ATOM 1449 H HIS A 476 40.890 17.382 66.108 1.00 0.00 H ATOM 1450 N ARG A 477 38.265 16.579 64.441 1.00 27.19 N ATOM 1451 CA ARG A 477 37.226 16.567 63.424 1.00 30.03 C ATOM 1452 C ARG A 477 37.565 15.597 62.301 1.00 23.98 C ATOM 1453 O ARG A 477 36.684 14.906 61.799 1.00 23.01 O ATOM 1454 CB ARG A 477 37.004 17.964 62.862 1.00 36.53 C ATOM 1455 CG ARG A 477 36.301 18.898 63.822 1.00 42.81 C ATOM 1456 CD ARG A 477 35.983 20.219 63.157 1.00 48.98 C ATOM 1457 NE ARG A 477 36.139 21.335 64.082 1.00 55.49 N ATOM 1458 CZ ARG A 477 36.956 22.363 63.879 1.00 60.32 C ATOM 1459 NH1 ARG A 477 37.686 22.426 62.773 1.00 60.56 N ATOM 1460 NH2 ARG A 477 37.036 23.334 64.779 1.00 63.22 N ATOM 1461 HE ARG A 477 35.575 21.326 64.956 1.00 0.00 H ATOM 1462 HH12 ARG A 477 38.325 23.232 62.617 1.00 0.00 H ATOM 1463 HH11 ARG A 477 37.620 21.670 62.062 1.00 0.00 H ATOM 1464 HH22 ARG A 477 37.675 24.139 64.620 1.00 0.00 H ATOM 1465 HH21 ARG A 477 36.459 23.291 65.643 1.00 0.00 H ATOM 1466 H ARG A 477 38.864 17.422 64.554 1.00 0.00 H ATOM 1467 N VAL A 478 38.838 15.540 61.913 1.00 24.00 N ATOM 1468 CA VAL A 478 39.264 14.587 60.893 1.00 22.95 C ATOM 1469 C VAL A 478 39.152 13.174 61.443 1.00 20.77 C ATOM 1470 O VAL A 478 38.685 12.264 60.753 1.00 20.41 O ATOM 1471 CB VAL A 478 40.706 14.850 60.409 1.00 23.77 C ATOM 1472 CG1 VAL A 478 41.149 13.748 59.461 1.00 22.71 C ATOM 1473 CG2 VAL A 478 40.790 16.201 59.715 1.00 26.69 C ATOM 1474 H VAL A 478 39.536 16.181 62.341 1.00 0.00 H ATOM 1475 N LEU A 479 39.564 12.992 62.695 1.00 19.69 N ATOM 1476 CA LEU A 479 39.454 11.684 63.325 1.00 17.68 C ATOM 1477 C LEU A 479 37.991 11.232 63.356 1.00 20.01 C ATOM 1478 O LEU A 479 37.701 10.060 63.106 1.00 20.14 O ATOM 1479 CB LEU A 479 40.063 11.704 64.736 1.00 17.66 C ATOM 1480 CG LEU A 479 41.592 11.547 64.801 1.00 19.16 C ATOM 1481 CD1 LEU A 479 42.119 11.862 66.198 1.00 21.19 C ATOM 1482 CD2 LEU A 479 42.032 10.135 64.370 1.00 17.19 C ATOM 1483 H LEU A 479 39.967 13.789 63.227 1.00 0.00 H ATOM 1484 N ASP A 480 37.074 12.159 63.633 1.00 20.35 N ATOM 1485 CA ASP A 480 35.640 11.852 63.605 1.00 18.48 C ATOM 1486 C ASP A 480 35.170 11.459 62.203 1.00 20.59 C ATOM 1487 O ASP A 480 34.304 10.600 62.045 1.00 19.85 O ATOM 1488 CB ASP A 480 34.814 13.045 64.100 1.00 21.34 C ATOM 1489 CG ASP A 480 34.871 13.218 65.608 1.00 25.41 C ATOM 1490 OD1 ASP A 480 35.338 12.291 66.304 1.00 23.80 O ATOM 1491 OD2 ASP A 480 34.432 14.282 66.098 1.00 29.11 O ATOM 1492 H ASP A 480 37.383 13.122 63.875 1.00 0.00 H ATOM 1493 N LYS A 481 35.741 12.100 61.191 1.00 21.09 N ATOM 1494 CA LYS A 481 35.404 11.802 59.804 1.00 21.34 C ATOM 1495 C LYS A 481 35.868 10.390 59.420 1.00 21.08 C ATOM 1496 O LYS A 481 35.186 9.671 58.686 1.00 18.84 O ATOM 1497 CB LYS A 481 36.023 12.852 58.880 1.00 26.24 C ATOM 1498 CG LYS A 481 35.853 12.564 57.400 1.00 32.85 C ATOM 1499 CD LYS A 481 34.398 12.639 56.972 1.00 36.69 C ATOM 1500 CE LYS A 481 33.874 14.061 57.067 1.00 40.69 C ATOM 1501 NZ LYS A 481 32.491 14.184 56.524 1.00 42.46 N ATOM 1502 HZ1 LYS A 481 32.487 13.902 55.523 1.00 0.00 H ATOM 1503 HZ2 LYS A 481 31.852 13.565 57.063 1.00 0.00 H ATOM 1504 HZ3 LYS A 481 32.173 15.171 56.609 1.00 0.00 H ATOM 1505 H LYS A 481 36.448 12.835 61.393 1.00 0.00 H ATOM 1506 N ILE A 482 37.022 9.981 59.930 1.00 18.16 N ATOM 1507 CA ILE A 482 37.507 8.632 59.655 1.00 17.47 C ATOM 1508 C ILE A 482 36.634 7.587 60.359 1.00 17.45 C ATOM 1509 O ILE A 482 36.422 6.493 59.836 1.00 17.48 O ATOM 1510 CB ILE A 482 38.972 8.470 60.076 1.00 15.82 C ATOM 1511 CG1 ILE A 482 39.850 9.481 59.334 1.00 19.25 C ATOM 1512 CG2 ILE A 482 39.473 7.053 59.778 1.00 15.18 C ATOM 1513 CD1 ILE A 482 41.317 9.389 59.694 1.00 20.74 C ATOM 1514 H ILE A 482 37.582 10.622 60.527 1.00 0.00 H ATOM 1515 N THR A 483 36.119 7.927 61.538 1.00 16.40 N ATOM 1516 CA THR A 483 35.181 7.046 62.233 1.00 16.15 C ATOM 1517 C THR A 483 33.913 6.845 61.395 1.00 17.99 C ATOM 1518 O THR A 483 33.480 5.709 61.196 1.00 19.67 O ATOM 1519 CB THR A 483 34.810 7.594 63.630 1.00 16.32 C ATOM 1520 OG1 THR A 483 35.980 7.628 64.456 1.00 15.46 O ATOM 1521 CG2 THR A 483 33.747 6.719 64.298 1.00 16.88 C ATOM 1522 HG1 THR A 483 36.659 8.216 64.040 1.00 0.00 H ATOM 1523 H THR A 483 36.388 8.833 61.972 1.00 0.00 H ATOM 1524 N ASP A 484 33.332 7.937 60.894 1.00 18.66 N ATOM 1525 CA ASP A 484 32.159 7.841 60.019 1.00 21.78 C ATOM 1526 C ASP A 484 32.477 6.949 58.820 1.00 20.43 C ATOM 1527 O ASP A 484 31.633 6.180 58.346 1.00 20.31 O ATOM 1528 CB ASP A 484 31.706 9.219 59.505 1.00 21.20 C ATOM 1529 CG ASP A 484 31.344 10.192 60.616 1.00 21.59 C ATOM 1530 OD1 ASP A 484 31.052 9.761 61.749 1.00 20.87 O ATOM 1531 OD2 ASP A 484 31.339 11.410 60.340 1.00 23.31 O ATOM 1532 H ASP A 484 33.718 8.874 61.128 1.00 0.00 H ATOM 1533 N THR A 485 33.707 7.068 58.338 1.00 19.71 N ATOM 1534 CA THR A 485 34.150 6.321 57.174 1.00 20.36 C ATOM 1535 C THR A 485 34.226 4.823 57.471 1.00 18.85 C ATOM 1536 O THR A 485 33.780 4.000 56.666 1.00 21.03 O ATOM 1537 CB THR A 485 35.516 6.838 56.686 1.00 21.66 C ATOM 1538 OG1 THR A 485 35.377 8.200 56.262 1.00 22.39 O ATOM 1539 CG2 THR A 485 36.016 6.015 55.515 1.00 21.62 C ATOM 1540 HG1 THR A 485 35.064 8.751 57.023 1.00 0.00 H ATOM 1541 H THR A 485 34.373 7.715 58.807 1.00 0.00 H ATOM 1542 N LEU A 486 34.780 4.469 58.627 1.00 17.29 N ATOM 1543 CA LEU A 486 34.833 3.066 59.033 1.00 17.98 C ATOM 1544 C LEU A 486 33.428 2.472 59.153 1.00 19.86 C ATOM 1545 O LEU A 486 33.171 1.374 58.654 1.00 20.79 O ATOM 1546 CB LEU A 486 35.591 2.919 60.351 1.00 16.85 C ATOM 1547 CG LEU A 486 37.114 2.904 60.227 1.00 17.26 C ATOM 1548 CD1 LEU A 486 37.760 3.039 61.597 1.00 14.84 C ATOM 1549 CD2 LEU A 486 37.577 1.624 59.529 1.00 19.75 C ATOM 1550 H LEU A 486 35.180 5.199 59.250 1.00 0.00 H ATOM 1551 N ILE A 487 32.516 3.205 59.790 1.00 17.24 N ATOM 1552 CA ILE A 487 31.141 2.735 59.939 1.00 16.65 C ATOM 1553 C ILE A 487 30.456 2.585 58.570 1.00 19.54 C ATOM 1554 O ILE A 487 29.750 1.606 58.322 1.00 18.56 O ATOM 1555 CB ILE A 487 30.308 3.686 60.839 1.00 19.42 C ATOM 1556 CG1 ILE A 487 30.826 3.654 62.279 1.00 20.46 C ATOM 1557 CG2 ILE A 487 28.827 3.303 60.819 1.00 17.07 C ATOM 1558 CD1 ILE A 487 30.699 2.297 62.952 1.00 19.41 C ATOM 1559 H ILE A 487 32.787 4.127 60.188 1.00 0.00 H ATOM 1560 N HIS A 488 30.678 3.551 57.684 1.00 19.54 N ATOM 1561 CA HIS A 488 30.156 3.484 56.322 1.00 21.54 C ATOM 1562 C HIS A 488 30.615 2.203 55.610 1.00 23.51 C ATOM 1563 O HIS A 488 29.810 1.506 54.984 1.00 25.25 O ATOM 1564 CB HIS A 488 30.597 4.730 55.543 1.00 25.36 C ATOM 1565 CG HIS A 488 30.114 4.782 54.124 1.00 28.39 C ATOM 1566 ND1 HIS A 488 28.812 5.086 53.791 1.00 31.15 N ATOM 1567 CD2 HIS A 488 30.769 4.599 52.953 1.00 31.87 C ATOM 1568 CE1 HIS A 488 28.682 5.074 52.476 1.00 34.80 C ATOM 1569 NE2 HIS A 488 29.855 4.782 51.944 1.00 35.53 N ATOM 1570 H HIS A 488 31.240 4.378 57.969 1.00 0.00 H ATOM 1571 N LEU A 489 31.906 1.894 55.710 1.00 19.12 N ATOM 1572 CA LEU A 489 32.453 0.704 55.064 1.00 19.63 C ATOM 1573 C LEU A 489 31.793 -0.563 55.601 1.00 19.39 C ATOM 1574 O LEU A 489 31.469 -1.482 54.841 1.00 22.41 O ATOM 1575 CB LEU A 489 33.970 0.631 55.257 1.00 20.22 C ATOM 1576 CG LEU A 489 34.779 1.678 54.498 1.00 20.99 C ATOM 1577 CD1 LEU A 489 36.198 1.761 55.051 1.00 20.58 C ATOM 1578 CD2 LEU A 489 34.786 1.336 53.014 1.00 24.83 C ATOM 1579 H LEU A 489 32.537 2.512 56.259 1.00 0.00 H ATOM 1580 N MET A 490 31.579 -0.595 56.910 1.00 17.30 N ATOM 1581 CA MET A 490 30.968 -1.750 57.554 1.00 17.81 C ATOM 1582 C MET A 490 29.501 -1.915 57.191 1.00 21.94 C ATOM 1583 O MET A 490 29.035 -3.033 56.950 1.00 22.69 O ATOM 1584 CB MET A 490 31.123 -1.644 59.065 1.00 15.42 C ATOM 1585 CG MET A 490 32.571 -1.692 59.511 1.00 20.55 C ATOM 1586 SD MET A 490 32.702 -1.546 61.300 1.00 22.74 S ATOM 1587 CE MET A 490 34.394 -1.009 61.479 1.00 24.64 C ATOM 1588 H MET A 490 31.854 0.223 57.490 1.00 0.00 H ATOM 1589 N ALA A 491 28.778 -0.800 57.152 1.00 20.83 N ATOM 1590 CA ALA A 491 27.382 -0.816 56.736 1.00 23.13 C ATOM 1591 C ALA A 491 27.268 -1.258 55.282 1.00 24.16 C ATOM 1592 O ALA A 491 26.397 -2.055 54.932 1.00 25.62 O ATOM 1593 CB ALA A 491 26.751 0.559 56.931 1.00 21.40 C ATOM 1594 H ALA A 491 29.218 0.102 57.424 1.00 0.00 H ATOM 1595 N LYS A 492 28.166 -0.751 54.440 1.00 23.56 N ATOM 1596 CA LYS A 492 28.153 -1.079 53.020 1.00 26.99 C ATOM 1597 C LYS A 492 28.456 -2.556 52.810 1.00 27.04 C ATOM 1598 O LYS A 492 28.024 -3.149 51.824 1.00 31.79 O ATOM 1599 CB LYS A 492 29.157 -0.214 52.251 1.00 27.98 C ATOM 1600 H LYS A 492 28.895 -0.105 54.805 1.00 0.00 H ATOM 1601 N ALA A 493 29.185 -3.150 53.750 1.00 25.77 N ATOM 1602 CA ALA A 493 29.526 -4.565 53.677 1.00 29.02 C ATOM 1603 C ALA A 493 28.426 -5.456 54.262 1.00 31.90 C ATOM 1604 O ALA A 493 28.554 -6.679 54.272 1.00 35.10 O ATOM 1605 CB ALA A 493 30.837 -4.821 54.387 1.00 25.70 C ATOM 1606 H ALA A 493 29.521 -2.590 54.559 1.00 0.00 H ATOM 1607 N GLY A 494 27.358 -4.847 54.767 1.00 29.54 N ATOM 1608 CA GLY A 494 26.212 -5.611 55.223 1.00 27.34 C ATOM 1609 C GLY A 494 26.176 -5.978 56.698 1.00 24.43 C ATOM 1610 O GLY A 494 25.334 -6.767 57.117 1.00 25.01 O ATOM 1611 H GLY A 494 27.344 -3.809 54.836 1.00 0.00 H ATOM 1612 N LEU A 495 27.081 -5.408 57.486 1.00 21.86 N ATOM 1613 CA LEU A 495 27.080 -5.646 58.926 1.00 21.06 C ATOM 1614 C LEU A 495 25.855 -4.998 59.562 1.00 21.67 C ATOM 1615 O LEU A 495 25.443 -3.909 59.159 1.00 20.81 O ATOM 1616 CB LEU A 495 28.362 -5.110 59.572 1.00 21.45 C ATOM 1617 CG LEU A 495 29.612 -5.997 59.581 1.00 22.51 C ATOM 1618 CD1 LEU A 495 30.066 -6.363 58.172 1.00 22.80 C ATOM 1619 CD2 LEU A 495 30.740 -5.315 60.349 1.00 21.78 C ATOM 1620 H LEU A 495 27.801 -4.783 57.071 1.00 0.00 H ATOM 1621 N THR A 496 25.263 -5.676 60.542 1.00 19.07 N ATOM 1622 CA THR A 496 24.131 -5.112 61.280 1.00 21.09 C ATOM 1623 C THR A 496 24.594 -3.926 62.123 1.00 18.81 C ATOM 1624 O THR A 496 25.789 -3.762 62.358 1.00 16.95 O ATOM 1625 CB THR A 496 23.474 -6.141 62.199 1.00 20.74 C ATOM 1626 OG1 THR A 496 24.395 -6.503 63.236 1.00 19.68 O ATOM 1627 CG2 THR A 496 23.065 -7.379 61.413 1.00 24.30 C ATOM 1628 HG1 THR A 496 23.972 -7.170 63.833 1.00 0.00 H ATOM 1629 H THR A 496 25.611 -6.625 60.789 1.00 0.00 H ATOM 1630 N LEU A 497 23.652 -3.104 62.578 1.00 16.91 N ATOM 1631 CA LEU A 497 24.008 -1.944 63.389 1.00 17.53 C ATOM 1632 C LEU A 497 24.835 -2.318 64.631 1.00 14.20 C ATOM 1633 O LEU A 497 25.806 -1.639 64.958 1.00 15.55 O ATOM 1634 CB LEU A 497 22.752 -1.186 63.818 1.00 18.96 C ATOM 1635 CG LEU A 497 23.054 0.176 64.444 1.00 20.03 C ATOM 1636 CD1 LEU A 497 23.924 1.007 63.501 1.00 21.02 C ATOM 1637 CD2 LEU A 497 21.761 0.909 64.780 1.00 20.74 C ATOM 1638 H LEU A 497 22.654 -3.290 62.354 1.00 0.00 H ATOM 1639 N GLN A 498 24.455 -3.397 65.310 1.00 17.21 N ATOM 1640 CA GLN A 498 25.199 -3.827 66.495 1.00 16.35 C ATOM 1641 C GLN A 498 26.589 -4.332 66.106 1.00 15.94 C ATOM 1642 O GLN A 498 27.578 -4.010 66.759 1.00 14.54 O ATOM 1643 CB GLN A 498 24.418 -4.903 67.259 1.00 17.69 C ATOM 1644 CG GLN A 498 23.179 -4.350 67.937 1.00 22.58 C ATOM 1645 CD GLN A 498 22.240 -5.420 68.461 1.00 30.09 C ATOM 1646 OE1 GLN A 498 22.247 -6.559 67.989 1.00 32.91 O ATOM 1647 NE2 GLN A 498 21.419 -5.054 69.447 1.00 27.14 N ATOM 1648 HE22 GLN A 498 21.448 -4.081 69.814 1.00 0.00 H ATOM 1649 HE21 GLN A 498 20.750 -5.741 69.849 1.00 0.00 H ATOM 1650 H GLN A 498 23.624 -3.938 64.997 1.00 0.00 H ATOM 1651 N GLN A 499 26.658 -5.102 65.024 1.00 14.09 N ATOM 1652 CA GLN A 499 27.935 -5.580 64.506 1.00 15.70 C ATOM 1653 C GLN A 499 28.861 -4.428 64.130 1.00 14.37 C ATOM 1654 O GLN A 499 30.082 -4.561 64.215 1.00 15.20 O ATOM 1655 CB GLN A 499 27.722 -6.491 63.299 1.00 15.82 C ATOM 1656 CG GLN A 499 27.257 -7.889 63.666 1.00 19.05 C ATOM 1657 CD GLN A 499 26.906 -8.711 62.449 1.00 25.35 C ATOM 1658 OE1 GLN A 499 26.705 -8.171 61.365 1.00 25.61 O ATOM 1659 NE2 GLN A 499 26.834 -10.026 62.618 1.00 29.28 N ATOM 1660 HE22 GLN A 499 27.012 -10.440 63.555 1.00 0.00 H ATOM 1661 HE21 GLN A 499 26.599 -10.642 61.813 1.00 0.00 H ATOM 1662 H GLN A 499 25.780 -5.370 64.535 1.00 0.00 H ATOM 1663 N GLN A 500 28.288 -3.293 63.735 1.00 17.08 N ATOM 1664 CA GLN A 500 29.098 -2.142 63.352 1.00 17.20 C ATOM 1665 C GLN A 500 29.859 -1.549 64.539 1.00 16.85 C ATOM 1666 O GLN A 500 31.075 -1.326 64.439 1.00 14.88 O ATOM 1667 CB GLN A 500 28.231 -1.067 62.689 1.00 15.80 C ATOM 1668 CG GLN A 500 27.698 -1.452 61.303 1.00 16.42 C ATOM 1669 CD GLN A 500 26.592 -0.520 60.827 1.00 18.63 C ATOM 1670 OE1 GLN A 500 26.581 0.663 61.164 1.00 20.57 O ATOM 1671 NE2 GLN A 500 25.647 -1.055 60.055 1.00 18.08 N ATOM 1672 HE22 GLN A 500 25.696 -2.061 59.794 1.00 0.00 H ATOM 1673 HE21 GLN A 500 24.860 -0.467 59.713 1.00 0.00 H ATOM 1674 H GLN A 500 27.251 -3.226 63.699 1.00 0.00 H ATOM 1675 N HIS A 501 29.177 -1.295 65.656 1.00 12.83 N ATOM 1676 CA HIS A 501 29.894 -0.706 66.781 1.00 13.71 C ATOM 1677 C HIS A 501 30.809 -1.741 67.447 1.00 12.54 C ATOM 1678 O HIS A 501 31.864 -1.382 67.983 1.00 11.83 O ATOM 1679 CB HIS A 501 28.939 -0.032 67.800 1.00 14.14 C ATOM 1680 CG HIS A 501 28.028 -0.960 68.553 1.00 14.55 C ATOM 1681 ND1 HIS A 501 26.654 -0.846 68.502 1.00 15.53 N ATOM 1682 CD2 HIS A 501 28.286 -1.950 69.443 1.00 14.97 C ATOM 1683 CE1 HIS A 501 26.106 -1.759 69.287 1.00 17.19 C ATOM 1684 NE2 HIS A 501 27.075 -2.438 69.873 1.00 16.95 N ATOM 1685 H HIS A 501 28.162 -1.511 65.723 1.00 0.00 H ATOM 1686 N GLN A 502 30.447 -3.019 67.372 1.00 12.42 N ATOM 1687 CA GLN A 502 31.301 -4.062 67.937 1.00 12.58 C ATOM 1688 C GLN A 502 32.610 -4.176 67.166 1.00 12.70 C ATOM 1689 O GLN A 502 33.683 -4.254 67.768 1.00 12.51 O ATOM 1690 CB GLN A 502 30.583 -5.413 67.961 1.00 13.76 C ATOM 1691 CG GLN A 502 29.451 -5.476 68.973 1.00 16.73 C ATOM 1692 CD GLN A 502 28.633 -6.746 68.861 1.00 22.37 C ATOM 1693 OE1 GLN A 502 28.860 -7.571 67.976 1.00 22.62 O ATOM 1694 NE2 GLN A 502 27.671 -6.909 69.766 1.00 24.30 N ATOM 1695 HE22 GLN A 502 27.516 -6.185 70.496 1.00 0.00 H ATOM 1696 HE21 GLN A 502 27.075 -7.761 69.743 1.00 0.00 H ATOM 1697 H GLN A 502 29.552 -3.277 66.909 1.00 0.00 H ATOM 1698 N ARG A 503 32.523 -4.159 65.839 1.00 12.45 N ATOM 1699 CA ARG A 503 33.722 -4.252 65.018 1.00 11.66 C ATOM 1700 C ARG A 503 34.569 -2.992 65.125 1.00 16.26 C ATOM 1701 O ARG A 503 35.794 -3.078 65.146 1.00 12.27 O ATOM 1702 CB ARG A 503 33.372 -4.515 63.552 1.00 13.21 C ATOM 1703 CG ARG A 503 34.600 -4.780 62.677 1.00 14.51 C ATOM 1704 CD ARG A 503 34.205 -5.222 61.282 1.00 17.65 C ATOM 1705 NE ARG A 503 35.356 -5.486 60.420 1.00 18.37 N ATOM 1706 CZ ARG A 503 36.001 -6.647 60.367 1.00 21.09 C ATOM 1707 NH1 ARG A 503 35.622 -7.657 61.140 1.00 17.32 N ATOM 1708 NH2 ARG A 503 37.030 -6.798 59.541 1.00 22.10 N ATOM 1709 HE ARG A 503 35.692 -4.715 59.808 1.00 0.00 H ATOM 1710 HH12 ARG A 503 36.129 -8.564 61.096 1.00 0.00 H ATOM 1711 HH11 ARG A 503 34.818 -7.541 61.790 1.00 0.00 H ATOM 1712 HH22 ARG A 503 37.535 -7.706 59.500 1.00 0.00 H ATOM 1713 HH21 ARG A 503 37.331 -6.008 58.936 1.00 0.00 H ATOM 1714 H ARG A 503 31.591 -4.079 65.384 1.00 0.00 H ATOM 1715 N LEU A 504 33.920 -1.827 65.181 1.00 12.90 N ATOM 1716 CA LEU A 504 34.642 -0.565 65.340 1.00 12.67 C ATOM 1717 C LEU A 504 35.519 -0.643 66.588 1.00 13.13 C ATOM 1718 O LEU A 504 36.703 -0.310 66.556 1.00 12.26 O ATOM 1719 CB LEU A 504 33.676 0.625 65.435 1.00 13.05 C ATOM 1720 CG LEU A 504 34.313 1.998 65.693 1.00 16.22 C ATOM 1721 CD1 LEU A 504 35.186 2.440 64.513 1.00 16.49 C ATOM 1722 CD2 LEU A 504 33.263 3.063 66.004 1.00 17.08 C ATOM 1723 H LEU A 504 32.882 -1.816 65.110 1.00 0.00 H ATOM 1724 N ALA A 505 34.925 -1.106 67.681 1.00 12.18 N ATOM 1725 CA ALA A 505 35.650 -1.307 68.931 1.00 12.81 C ATOM 1726 C ALA A 505 36.800 -2.312 68.801 1.00 12.92 C ATOM 1727 O ALA A 505 37.908 -2.056 69.276 1.00 14.10 O ATOM 1728 CB ALA A 505 34.683 -1.752 70.030 1.00 11.99 C ATOM 1729 H ALA A 505 33.911 -1.333 67.645 1.00 0.00 H ATOM 1730 N GLN A 506 36.538 -3.459 68.178 1.00 12.37 N ATOM 1731 CA GLN A 506 37.579 -4.471 67.994 1.00 12.55 C ATOM 1732 C GLN A 506 38.762 -3.896 67.226 1.00 15.66 C ATOM 1733 O GLN A 506 39.916 -4.125 67.587 1.00 12.71 O ATOM 1734 CB GLN A 506 37.033 -5.700 67.263 1.00 13.81 C ATOM 1735 CG GLN A 506 35.968 -6.462 68.028 1.00 20.51 C ATOM 1736 CD GLN A 506 35.123 -7.345 67.124 1.00 26.50 C ATOM 1737 OE1 GLN A 506 35.401 -7.477 65.930 1.00 23.30 O ATOM 1738 NE2 GLN A 506 34.069 -7.940 67.688 1.00 29.22 N ATOM 1739 HE22 GLN A 506 33.873 -7.800 68.700 1.00 0.00 H ATOM 1740 HE21 GLN A 506 33.444 -8.543 67.116 1.00 0.00 H ATOM 1741 H GLN A 506 35.579 -3.638 67.817 1.00 0.00 H ATOM 1742 N LEU A 507 38.470 -3.148 66.167 1.00 13.26 N ATOM 1743 CA LEU A 507 39.526 -2.569 65.343 1.00 15.67 C ATOM 1744 C LEU A 507 40.342 -1.538 66.114 1.00 16.00 C ATOM 1745 O LEU A 507 41.565 -1.499 66.007 1.00 14.49 O ATOM 1746 CB LEU A 507 38.942 -1.925 64.083 1.00 15.20 C ATOM 1747 CG LEU A 507 38.361 -2.883 63.040 1.00 18.98 C ATOM 1748 CD1 LEU A 507 37.804 -2.120 61.862 1.00 21.22 C ATOM 1749 CD2 LEU A 507 39.416 -3.869 62.586 1.00 21.75 C ATOM 1750 H LEU A 507 37.475 -2.973 65.922 1.00 0.00 H ATOM 1751 N LEU A 508 39.669 -0.690 66.881 1.00 12.91 N ATOM 1752 CA LEU A 508 40.371 0.376 67.584 1.00 14.34 C ATOM 1753 C LEU A 508 41.162 -0.156 68.777 1.00 11.53 C ATOM 1754 O LEU A 508 42.176 0.427 69.162 1.00 13.91 O ATOM 1755 CB LEU A 508 39.389 1.457 68.030 1.00 16.64 C ATOM 1756 CG LEU A 508 38.729 2.184 66.855 1.00 18.96 C ATOM 1757 CD1 LEU A 508 37.767 3.237 67.354 1.00 18.53 C ATOM 1758 CD2 LEU A 508 39.772 2.803 65.927 1.00 16.52 C ATOM 1759 H LEU A 508 38.638 -0.786 66.981 1.00 0.00 H ATOM 1760 N LEU A 509 40.713 -1.261 69.360 1.00 10.53 N ATOM 1761 CA LEU A 509 41.458 -1.866 70.453 1.00 14.63 C ATOM 1762 C LEU A 509 42.770 -2.469 69.946 1.00 15.79 C ATOM 1763 O LEU A 509 43.720 -2.596 70.711 1.00 15.57 O ATOM 1764 CB LEU A 509 40.621 -2.924 71.173 1.00 15.09 C ATOM 1765 CG LEU A 509 39.517 -2.363 72.070 1.00 16.91 C ATOM 1766 CD1 LEU A 509 38.772 -3.495 72.737 1.00 20.07 C ATOM 1767 CD2 LEU A 509 40.092 -1.413 73.106 1.00 19.10 C ATOM 1768 H LEU A 509 39.826 -1.695 69.034 1.00 0.00 H ATOM 1769 N ILE A 510 42.805 -2.853 68.679 1.00 12.29 N ATOM 1770 CA ILE A 510 44.072 -3.263 68.068 1.00 12.96 C ATOM 1771 C ILE A 510 45.131 -2.174 68.180 1.00 13.46 C ATOM 1772 O ILE A 510 46.245 -2.445 68.311 1.00 13.59 O ATOM 1773 CB ILE A 510 43.922 -3.552 66.574 1.00 27.42 C ATOM 1774 CG1 ILE A 510 43.079 -4.764 66.361 1.00 33.50 C ATOM 1775 CG2 ILE A 510 45.249 -3.865 65.899 1.00 28.20 C ATOM 1776 CD1 ILE A 510 42.741 -4.906 64.905 1.00 35.55 C ATOM 1777 H ILE A 510 41.931 -2.864 68.116 1.00 0.00 H ATOM 1778 N LEU A 511 44.719 -0.931 68.083 1.00 13.81 N ATOM 1779 CA LEU A 511 45.649 0.194 68.135 1.00 16.13 C ATOM 1780 C LEU A 511 46.385 0.287 69.475 1.00 15.89 C ATOM 1781 O LEU A 511 47.504 0.795 69.529 1.00 16.97 O ATOM 1782 CB LEU A 511 44.913 1.504 67.835 1.00 15.50 C ATOM 1783 CG LEU A 511 44.313 1.586 66.427 1.00 19.11 C ATOM 1784 CD1 LEU A 511 43.862 3.003 66.108 1.00 21.20 C ATOM 1785 CD2 LEU A 511 45.292 1.082 65.368 1.00 18.30 C ATOM 1786 H LEU A 511 43.703 -0.742 67.966 1.00 0.00 H ATOM 1787 N SER A 512 45.778 -0.207 70.549 1.00 13.05 N ATOM 1788 CA SER A 512 46.450 -0.275 71.845 1.00 12.90 C ATOM 1789 C SER A 512 47.601 -1.274 71.796 1.00 13.27 C ATOM 1790 O SER A 512 48.668 -1.053 72.370 1.00 12.14 O ATOM 1791 CB SER A 512 45.467 -0.669 72.950 1.00 12.24 C ATOM 1792 OG SER A 512 46.158 -1.019 74.138 1.00 13.82 O ATOM 1793 HG SER A 512 46.758 -1.785 73.956 1.00 0.00 H ATOM 1794 H SER A 512 44.801 -0.554 70.465 1.00 0.00 H ATOM 1795 N HIS A 513 47.369 -2.386 71.114 1.00 11.94 N ATOM 1796 CA HIS A 513 48.392 -3.409 70.968 1.00 10.90 C ATOM 1797 C HIS A 513 49.514 -2.924 70.056 1.00 12.01 C ATOM 1798 O HIS A 513 50.686 -3.182 70.320 1.00 13.74 O ATOM 1799 CB HIS A 513 47.771 -4.696 70.439 1.00 15.04 C ATOM 1800 CG HIS A 513 46.754 -5.282 71.365 1.00 20.26 C ATOM 1801 ND1 HIS A 513 47.098 -6.053 72.453 1.00 23.74 N ATOM 1802 CD2 HIS A 513 45.403 -5.176 71.388 1.00 22.61 C ATOM 1803 CE1 HIS A 513 46.001 -6.414 73.096 1.00 23.40 C ATOM 1804 NE2 HIS A 513 44.960 -5.896 72.468 1.00 22.93 N ATOM 1805 H HIS A 513 46.437 -2.530 70.675 1.00 0.00 H ATOM 1806 N ILE A 514 49.158 -2.210 68.994 1.00 10.43 N ATOM 1807 CA ILE A 514 50.176 -1.675 68.094 1.00 11.60 C ATOM 1808 C ILE A 514 51.049 -0.655 68.835 1.00 11.18 C ATOM 1809 O ILE A 514 52.270 -0.633 68.657 1.00 10.12 O ATOM 1810 CB ILE A 514 49.529 -1.052 66.841 1.00 14.42 C ATOM 1811 CG1 ILE A 514 48.996 -2.169 65.942 1.00 19.76 C ATOM 1812 CG2 ILE A 514 50.537 -0.187 66.072 1.00 13.02 C ATOM 1813 CD1 ILE A 514 48.026 -1.708 64.891 1.00 22.29 C ATOM 1814 H ILE A 514 48.151 -2.031 68.803 1.00 0.00 H ATOM 1815 N ARG A 515 50.435 0.166 69.685 1.00 11.52 N ATOM 1816 CA ARG A 515 51.200 1.102 70.502 1.00 12.61 C ATOM 1817 C ARG A 515 52.203 0.381 71.402 1.00 11.42 C ATOM 1818 O ARG A 515 53.364 0.791 71.505 1.00 10.64 O ATOM 1819 CB ARG A 515 50.283 1.959 71.370 1.00 13.40 C ATOM 1820 CG ARG A 515 51.050 2.941 72.244 1.00 15.90 C ATOM 1821 CD ARG A 515 51.420 4.199 71.455 1.00 17.06 C ATOM 1822 NE ARG A 515 50.299 5.132 71.440 1.00 20.65 N ATOM 1823 CZ ARG A 515 50.415 6.457 71.468 1.00 22.78 C ATOM 1824 NH1 ARG A 515 51.614 7.025 71.480 1.00 24.97 N ATOM 1825 NH2 ARG A 515 49.326 7.214 71.475 1.00 24.30 N ATOM 1826 HE ARG A 515 49.339 4.732 71.405 1.00 0.00 H ATOM 1827 HH12 ARG A 515 51.698 8.061 71.502 1.00 0.00 H ATOM 1828 HH11 ARG A 515 52.470 6.434 71.468 1.00 0.00 H ATOM 1829 HH22 ARG A 515 49.413 8.250 71.497 1.00 0.00 H ATOM 1830 HH21 ARG A 515 48.385 6.771 71.459 1.00 0.00 H ATOM 1831 H ARG A 515 49.399 0.140 69.767 1.00 0.00 H ATOM 1832 N HIS A 516 51.742 -0.682 72.060 1.00 11.17 N ATOM 1833 CA HIS A 516 52.589 -1.492 72.939 1.00 14.81 C ATOM 1834 C HIS A 516 53.809 -2.053 72.200 1.00 13.50 C ATOM 1835 O HIS A 516 54.944 -1.960 72.681 1.00 12.76 O ATOM 1836 CB HIS A 516 51.772 -2.640 73.552 1.00 13.95 C ATOM 1837 CG HIS A 516 52.543 -3.488 74.518 1.00 17.26 C ATOM 1838 ND1 HIS A 516 52.836 -3.075 75.801 1.00 21.73 N ATOM 1839 CD2 HIS A 516 53.083 -4.723 74.389 1.00 16.32 C ATOM 1840 CE1 HIS A 516 53.525 -4.018 76.419 1.00 21.00 C ATOM 1841 NE2 HIS A 516 53.690 -5.028 75.584 1.00 19.14 N ATOM 1842 H HIS A 516 50.743 -0.947 71.945 1.00 0.00 H ATOM 1843 N MET A 517 53.568 -2.642 71.033 1.00 11.78 N ATOM 1844 CA MET A 517 54.643 -3.223 70.226 1.00 12.71 C ATOM 1845 C MET A 517 55.627 -2.154 69.781 1.00 11.66 C ATOM 1846 O MET A 517 56.833 -2.377 69.768 1.00 10.86 O ATOM 1847 CB MET A 517 54.068 -3.954 69.010 1.00 13.88 C ATOM 1848 CG MET A 517 53.263 -5.192 69.361 1.00 14.48 C ATOM 1849 SD MET A 517 52.836 -6.147 67.891 1.00 19.30 S ATOM 1850 CE MET A 517 51.817 -4.986 66.984 1.00 15.38 C ATOM 1851 H MET A 517 52.590 -2.692 70.684 1.00 0.00 H ATOM 1852 N SER A 518 55.108 -0.987 69.422 1.00 10.09 N ATOM 1853 CA SER A 518 55.966 0.125 69.051 1.00 13.12 C ATOM 1854 C SER A 518 56.856 0.545 70.210 1.00 10.86 C ATOM 1855 O SER A 518 58.052 0.768 70.021 1.00 11.65 O ATOM 1856 CB SER A 518 55.142 1.312 68.578 1.00 16.39 C ATOM 1857 OG SER A 518 55.969 2.451 68.393 1.00 18.87 O ATOM 1858 HG SER A 518 56.405 2.684 69.251 1.00 0.00 H ATOM 1859 H SER A 518 54.075 -0.867 69.406 1.00 0.00 H ATOM 1860 N ASN A 519 56.285 0.653 71.409 1.00 11.40 N ATOM 1861 CA ASN A 519 57.081 1.023 72.577 1.00 13.64 C ATOM 1862 C ASN A 519 58.194 0.007 72.834 1.00 13.69 C ATOM 1863 O ASN A 519 59.321 0.373 73.151 1.00 12.34 O ATOM 1864 CB ASN A 519 56.210 1.154 73.834 1.00 16.35 C ATOM 1865 CG ASN A 519 55.208 2.300 73.750 1.00 23.40 C ATOM 1866 OD1 ASN A 519 54.093 2.197 74.262 1.00 27.23 O ATOM 1867 ND2 ASN A 519 55.601 3.391 73.108 1.00 26.67 N ATOM 1868 HD22 ASN A 519 56.553 3.434 72.691 1.00 0.00 H ATOM 1869 HD21 ASN A 519 54.958 4.204 73.022 1.00 0.00 H ATOM 1870 H ASN A 519 55.266 0.473 71.514 1.00 0.00 H ATOM 1871 N LYS A 520 57.878 -1.275 72.698 1.00 11.70 N ATOM 1872 CA LYS A 520 58.884 -2.309 72.924 1.00 13.40 C ATOM 1873 C LYS A 520 59.907 -2.330 71.794 1.00 12.11 C ATOM 1874 O LYS A 520 61.100 -2.538 72.023 1.00 12.21 O ATOM 1875 CB LYS A 520 58.222 -3.680 73.074 1.00 14.64 C ATOM 1876 CG LYS A 520 57.252 -3.754 74.248 1.00 20.30 C ATOM 1877 CD LYS A 520 57.972 -3.724 75.591 1.00 30.18 C ATOM 1878 CE LYS A 520 58.012 -5.114 76.214 1.00 37.16 C ATOM 1879 NZ LYS A 520 58.126 -5.057 77.699 1.00 40.44 N ATOM 1880 HZ1 LYS A 520 59.001 -4.558 77.959 1.00 0.00 H ATOM 1881 HZ2 LYS A 520 57.307 -4.549 78.089 1.00 0.00 H ATOM 1882 HZ3 LYS A 520 58.150 -6.024 78.081 1.00 0.00 H ATOM 1883 H LYS A 520 56.910 -1.544 72.429 1.00 0.00 H ATOM 1884 N GLY A 521 59.439 -2.111 70.571 1.00 13.33 N ATOM 1885 CA GLY A 521 60.332 -2.025 69.429 1.00 13.96 C ATOM 1886 C GLY A 521 61.290 -0.853 69.539 1.00 14.89 C ATOM 1887 O GLY A 521 62.458 -0.944 69.141 1.00 13.91 O ATOM 1888 H GLY A 521 58.415 -1.999 70.428 1.00 0.00 H ATOM 1889 N MET A 522 60.802 0.254 70.087 1.00 12.04 N ATOM 1890 CA MET A 522 61.632 1.439 70.250 1.00 14.12 C ATOM 1891 C MET A 522 62.712 1.196 71.296 1.00 13.93 C ATOM 1892 O MET A 522 63.859 1.607 71.115 1.00 13.40 O ATOM 1893 CB MET A 522 60.788 2.649 70.647 1.00 14.63 C ATOM 1894 CG MET A 522 61.458 3.977 70.326 1.00 17.66 C ATOM 1895 SD MET A 522 61.393 4.288 68.554 1.00 20.01 S ATOM 1896 CE MET A 522 59.632 4.512 68.324 1.00 24.93 C ATOM 1897 H MET A 522 59.812 0.275 70.405 1.00 0.00 H ATOM 1898 N GLU A 523 62.342 0.536 72.394 1.00 13.93 N ATOM 1899 CA GLU A 523 63.313 0.147 73.416 1.00 15.22 C ATOM 1900 C GLU A 523 64.367 -0.797 72.845 1.00 15.56 C ATOM 1901 O GLU A 523 65.550 -0.687 73.168 1.00 16.02 O ATOM 1902 CB GLU A 523 62.619 -0.523 74.604 1.00 17.60 C ATOM 1903 CG GLU A 523 61.768 0.416 75.445 1.00 25.30 C ATOM 1904 CD GLU A 523 60.874 -0.326 76.425 1.00 29.46 C ATOM 1905 OE1 GLU A 523 61.353 -1.284 77.067 1.00 31.49 O ATOM 1906 OE2 GLU A 523 59.687 0.042 76.549 1.00 32.22 O ATOM 1907 H GLU A 523 61.340 0.292 72.527 1.00 0.00 H ATOM 1908 N HIS A 524 63.932 -1.734 72.007 1.00 14.59 N ATOM 1909 CA HIS A 524 64.860 -2.677 71.396 1.00 14.81 C ATOM 1910 C HIS A 524 65.846 -1.965 70.474 1.00 15.72 C ATOM 1911 O HIS A 524 67.047 -2.227 70.513 1.00 13.83 O ATOM 1912 CB HIS A 524 64.116 -3.760 70.610 1.00 13.63 C ATOM 1913 CG HIS A 524 65.035 -4.737 69.942 1.00 14.98 C ATOM 1914 ND1 HIS A 524 65.483 -4.576 68.647 1.00 14.47 N ATOM 1915 CD2 HIS A 524 65.616 -5.871 70.402 1.00 19.56 C ATOM 1916 CE1 HIS A 524 66.293 -5.575 68.336 1.00 18.69 C ATOM 1917 NE2 HIS A 524 66.390 -6.374 69.384 1.00 21.18 N ATOM 1918 H HIS A 524 62.918 -1.794 71.785 1.00 0.00 H ATOM 1919 N LEU A 525 65.334 -1.063 69.645 1.00 12.45 N ATOM 1920 CA LEU A 525 66.180 -0.351 68.695 1.00 14.65 C ATOM 1921 C LEU A 525 67.201 0.504 69.434 1.00 14.27 C ATOM 1922 O LEU A 525 68.369 0.569 69.048 1.00 13.42 O ATOM 1923 CB LEU A 525 65.335 0.520 67.757 1.00 14.52 C ATOM 1924 CG LEU A 525 66.108 1.296 66.682 1.00 16.42 C ATOM 1925 CD1 LEU A 525 66.906 0.355 65.795 1.00 14.57 C ATOM 1926 CD2 LEU A 525 65.157 2.151 65.848 1.00 17.66 C ATOM 1927 H LEU A 525 64.314 -0.861 69.674 1.00 0.00 H ATOM 1928 N TYR A 526 66.756 1.155 70.505 1.00 14.53 N ATOM 1929 CA TYR A 526 67.644 1.975 71.321 1.00 14.98 C ATOM 1930 C TYR A 526 68.772 1.131 71.890 1.00 16.92 C ATOM 1931 O TYR A 526 69.920 1.577 71.968 1.00 17.16 O ATOM 1932 CB TYR A 526 66.858 2.648 72.452 1.00 15.43 C ATOM 1933 CG TYR A 526 67.643 3.690 73.219 1.00 18.80 C ATOM 1934 CD1 TYR A 526 67.945 4.919 72.644 1.00 21.95 C ATOM 1935 CD2 TYR A 526 68.063 3.455 74.519 1.00 24.65 C ATOM 1936 CE1 TYR A 526 68.656 5.875 73.334 1.00 27.75 C ATOM 1937 CE2 TYR A 526 68.775 4.407 75.220 1.00 31.06 C ATOM 1938 CZ TYR A 526 69.067 5.617 74.621 1.00 33.29 C ATOM 1939 OH TYR A 526 69.774 6.574 75.309 1.00 41.67 O ATOM 1940 HH TYR A 526 70.660 6.211 75.560 1.00 0.00 H ATOM 1941 H TYR A 526 65.752 1.078 70.766 1.00 0.00 H ATOM 1942 N SER A 527 68.465 -0.102 72.280 1.00 16.33 N ATOM 1943 CA SER A 527 69.488 -0.961 72.865 1.00 18.04 C ATOM 1944 C SER A 527 70.488 -1.431 71.807 1.00 18.04 C ATOM 1945 O SER A 527 71.672 -1.583 72.103 1.00 19.82 O ATOM 1946 CB SER A 527 68.855 -2.160 73.574 1.00 19.25 C ATOM 1947 OG SER A 527 68.317 -3.083 72.649 1.00 19.09 O ATOM 1948 HG SER A 527 67.621 -2.636 72.105 1.00 0.00 H ATOM 1949 H SER A 527 67.493 -0.455 72.168 1.00 0.00 H ATOM 1950 N MET A 528 70.023 -1.654 70.579 1.00 16.37 N ATOM 1951 CA MET A 528 70.937 -1.989 69.483 1.00 17.31 C ATOM 1952 C MET A 528 71.883 -0.833 69.195 1.00 17.98 C ATOM 1953 O MET A 528 73.089 -1.030 69.025 1.00 20.14 O ATOM 1954 CB MET A 528 70.162 -2.354 68.212 1.00 18.35 C ATOM 1955 CG MET A 528 69.289 -3.600 68.330 1.00 23.47 C ATOM 1956 SD MET A 528 70.234 -5.123 68.569 1.00 27.75 S ATOM 1957 CE MET A 528 70.122 -5.345 70.344 1.00 30.69 C ATOM 1958 H MET A 528 69.001 -1.590 70.396 1.00 0.00 H ATOM 1959 N LYS A 529 71.328 0.373 69.142 1.00 16.20 N ATOM 1960 CA LYS A 529 72.126 1.581 68.942 1.00 15.90 C ATOM 1961 C LYS A 529 73.179 1.752 70.041 1.00 20.17 C ATOM 1962 O LYS A 529 74.343 2.049 69.761 1.00 18.28 O ATOM 1963 CB LYS A 529 71.228 2.822 68.901 1.00 20.38 C ATOM 1964 CG LYS A 529 71.986 4.146 68.882 1.00 23.02 C ATOM 1965 CD LYS A 529 71.072 5.298 69.263 1.00 29.87 C ATOM 1966 CE LYS A 529 71.332 5.790 70.679 1.00 31.70 C ATOM 1967 NZ LYS A 529 72.229 6.987 70.671 1.00 35.39 N ATOM 1968 HZ1 LYS A 529 73.137 6.735 70.232 1.00 0.00 H ATOM 1969 HZ2 LYS A 529 71.780 7.752 70.128 1.00 0.00 H ATOM 1970 HZ3 LYS A 529 72.391 7.304 71.648 1.00 0.00 H ATOM 1971 H LYS A 529 70.297 0.460 69.246 1.00 0.00 H ATOM 1972 N CYS A 530 72.763 1.564 71.290 1.00 19.30 N ATOM 1973 CA CYS A 530 73.647 1.798 72.433 1.00 18.71 C ATOM 1974 C CYS A 530 74.719 0.719 72.563 1.00 19.35 C ATOM 1975 O CYS A 530 75.700 0.892 73.286 1.00 23.25 O ATOM 1976 CB CYS A 530 72.833 1.892 73.722 1.00 22.09 C ATOM 1977 SG CYS A 530 71.819 3.372 73.789 1.00 30.14 S ATOM 1978 H CYS A 530 71.788 1.244 71.458 1.00 0.00 H ATOM 1979 N LYS A 531 74.536 -0.384 71.849 1.00 16.49 N ATOM 1980 CA LYS A 531 75.529 -1.445 71.824 1.00 23.49 C ATOM 1981 C LYS A 531 76.335 -1.447 70.523 1.00 20.83 C ATOM 1982 O LYS A 531 77.137 -2.350 70.293 1.00 19.43 O ATOM 1983 CB LYS A 531 74.857 -2.806 72.036 1.00 25.77 C ATOM 1984 CG LYS A 531 74.291 -2.988 73.435 1.00 29.48 C ATOM 1985 CD LYS A 531 73.991 -4.447 73.740 1.00 36.39 C ATOM 1986 CE LYS A 531 72.667 -4.894 73.154 1.00 40.52 C ATOM 1987 NZ LYS A 531 72.444 -6.359 73.382 1.00 47.10 N ATOM 1988 HZ1 LYS A 531 73.209 -6.899 72.929 1.00 0.00 H ATOM 1989 HZ2 LYS A 531 72.439 -6.553 74.404 1.00 0.00 H ATOM 1990 HZ3 LYS A 531 71.530 -6.638 72.971 1.00 0.00 H ATOM 1991 H LYS A 531 73.663 -0.492 71.295 1.00 0.00 H ATOM 1992 N ASN A 532 76.133 -0.421 69.696 1.00 16.30 N ATOM 1993 CA ASN A 532 76.835 -0.286 68.415 1.00 19.09 C ATOM 1994 C ASN A 532 76.697 -1.528 67.539 1.00 20.51 C ATOM 1995 O ASN A 532 77.643 -1.933 66.866 1.00 18.79 O ATOM 1996 CB ASN A 532 78.325 0.026 68.628 1.00 18.66 C ATOM 1997 CG ASN A 532 78.567 1.459 69.069 1.00 16.47 C ATOM 1998 OD1 ASN A 532 77.878 1.969 69.954 1.00 19.18 O ATOM 1999 ND2 ASN A 532 79.547 2.122 68.448 1.00 15.82 N ATOM 2000 HD22 ASN A 532 80.104 1.652 67.706 1.00 0.00 H ATOM 2001 HD21 ASN A 532 79.753 3.108 68.707 1.00 0.00 H ATOM 2002 H ASN A 532 75.450 0.314 69.970 1.00 0.00 H ATOM 2003 N VAL A 533 75.514 -2.130 67.557 1.00 18.45 N ATOM 2004 CA VAL A 533 75.227 -3.288 66.720 1.00 22.58 C ATOM 2005 C VAL A 533 75.079 -2.885 65.253 1.00 19.07 C ATOM 2006 O VAL A 533 75.540 -3.585 64.352 1.00 21.07 O ATOM 2007 CB VAL A 533 73.943 -4.007 67.189 1.00 26.32 C ATOM 2008 CG1 VAL A 533 73.577 -5.138 66.242 1.00 27.05 C ATOM 2009 CG2 VAL A 533 74.126 -4.530 68.606 1.00 27.01 C ATOM 2010 H VAL A 533 74.771 -1.765 68.186 1.00 0.00 H ATOM 2011 N VAL A 534 74.441 -1.747 65.020 1.00 20.25 N ATOM 2012 CA VAL A 534 74.127 -1.319 63.666 1.00 21.37 C ATOM 2013 C VAL A 534 74.277 0.191 63.557 1.00 19.90 C ATOM 2014 O VAL A 534 73.890 0.920 64.471 1.00 17.85 O ATOM 2015 CB VAL A 534 72.687 -1.745 63.261 1.00 33.08 C ATOM 2016 CG1 VAL A 534 71.688 -1.334 64.332 1.00 29.00 C ATOM 2017 CG2 VAL A 534 72.295 -1.167 61.908 1.00 36.21 C ATOM 2018 H VAL A 534 74.159 -1.148 65.822 1.00 0.00 H ATOM 2019 N PRO A 535 74.865 0.668 62.450 1.00 24.16 N ATOM 2020 CA PRO A 535 74.866 2.113 62.222 1.00 25.72 C ATOM 2021 C PRO A 535 73.488 2.565 61.749 1.00 24.01 C ATOM 2022 O PRO A 535 72.953 2.024 60.782 1.00 27.06 O ATOM 2023 CB PRO A 535 75.933 2.296 61.141 1.00 27.59 C ATOM 2024 CG PRO A 535 75.909 1.011 60.384 1.00 31.15 C ATOM 2025 CD PRO A 535 75.597 -0.061 61.397 1.00 29.26 C ATOM 2026 N LEU A 536 72.901 3.525 62.449 1.00 22.16 N ATOM 2027 CA LEU A 536 71.605 4.049 62.063 1.00 20.40 C ATOM 2028 C LEU A 536 71.775 5.347 61.282 1.00 21.78 C ATOM 2029 O LEU A 536 72.699 6.119 61.547 1.00 22.30 O ATOM 2030 CB LEU A 536 70.735 4.276 63.296 1.00 21.63 C ATOM 2031 CG LEU A 536 70.419 3.045 64.148 1.00 23.26 C ATOM 2032 CD1 LEU A 536 69.555 3.432 65.348 1.00 25.61 C ATOM 2033 CD2 LEU A 536 69.733 1.974 63.307 1.00 19.97 C ATOM 2034 H LEU A 536 73.378 3.909 63.290 1.00 0.00 H ATOM 2035 N SER A 537 70.891 5.581 60.319 1.00 19.03 N ATOM 2036 CA SER A 537 70.908 6.831 59.567 1.00 23.28 C ATOM 2037 C SER A 537 70.614 7.992 60.506 1.00 21.60 C ATOM 2038 O SER A 537 70.035 7.794 61.575 1.00 20.93 O ATOM 2039 CB SER A 537 69.886 6.797 58.431 1.00 25.95 C ATOM 2040 OG SER A 537 68.565 6.821 58.942 1.00 24.24 O ATOM 2041 HG SER A 537 67.921 6.798 58.190 1.00 0.00 H ATOM 2042 H SER A 537 70.174 4.861 60.097 1.00 0.00 H ATOM 2043 N ASP A 538 71.022 9.195 60.118 1.00 25.85 N ATOM 2044 CA ASP A 538 70.760 10.369 60.938 1.00 25.85 C ATOM 2045 C ASP A 538 69.261 10.537 61.168 1.00 24.69 C ATOM 2046 O ASP A 538 68.831 10.882 62.272 1.00 22.98 O ATOM 2047 CB ASP A 538 71.345 11.624 60.290 1.00 28.76 C ATOM 2048 CG ASP A 538 72.861 11.571 60.169 1.00 37.51 C ATOM 2049 OD1 ASP A 538 73.514 10.929 61.022 1.00 38.60 O ATOM 2050 OD2 ASP A 538 73.400 12.175 59.216 1.00 40.07 O ATOM 2051 H ASP A 538 71.534 9.299 59.219 1.00 0.00 H ATOM 2052 N LEU A 539 68.469 10.273 60.132 1.00 21.31 N ATOM 2053 CA LEU A 539 67.019 10.357 60.259 1.00 20.67 C ATOM 2054 C LEU A 539 66.527 9.410 61.346 1.00 18.95 C ATOM 2055 O LEU A 539 65.796 9.826 62.244 1.00 19.25 O ATOM 2056 CB LEU A 539 66.323 10.046 58.931 1.00 21.41 C ATOM 2057 CG LEU A 539 64.788 10.020 58.996 1.00 22.50 C ATOM 2058 CD1 LEU A 539 64.222 11.336 59.513 1.00 21.76 C ATOM 2059 CD2 LEU A 539 64.173 9.675 57.647 1.00 22.67 C ATOM 2060 H LEU A 539 68.890 10.003 59.220 1.00 0.00 H ATOM 2061 N LEU A 540 66.945 8.146 61.284 1.00 17.82 N ATOM 2062 CA LEU A 540 66.539 7.175 62.292 1.00 18.07 C ATOM 2063 C LEU A 540 67.008 7.561 63.691 1.00 20.20 C ATOM 2064 O LEU A 540 66.257 7.417 64.652 1.00 21.15 O ATOM 2065 CB LEU A 540 67.052 5.778 61.947 1.00 19.74 C ATOM 2066 CG LEU A 540 66.100 4.871 61.163 1.00 21.16 C ATOM 2067 CD1 LEU A 540 66.705 3.474 61.009 1.00 20.41 C ATOM 2068 CD2 LEU A 540 64.728 4.806 61.827 1.00 21.84 C ATOM 2069 H LEU A 540 67.569 7.849 60.507 1.00 0.00 H ATOM 2070 N LEU A 541 68.242 8.045 63.803 1.00 17.80 N ATOM 2071 CA LEU A 541 68.770 8.477 65.096 1.00 19.60 C ATOM 2072 C LEU A 541 67.874 9.532 65.723 1.00 21.19 C ATOM 2073 O LEU A 541 67.600 9.501 66.920 1.00 22.21 O ATOM 2074 CB LEU A 541 70.192 9.025 64.953 1.00 22.33 C ATOM 2075 CG LEU A 541 71.246 7.966 64.650 1.00 25.49 C ATOM 2076 CD1 LEU A 541 72.590 8.625 64.368 1.00 26.22 C ATOM 2077 CD2 LEU A 541 71.356 6.994 65.807 1.00 28.62 C ATOM 2078 H LEU A 541 68.841 8.117 62.956 1.00 0.00 H ATOM 2079 N GLU A 542 67.419 10.463 64.896 1.00 19.47 N ATOM 2080 CA GLU A 542 66.567 11.545 65.363 1.00 20.32 C ATOM 2081 C GLU A 542 65.146 11.074 65.675 1.00 19.34 C ATOM 2082 O GLU A 542 64.571 11.503 66.675 1.00 20.64 O ATOM 2083 CB GLU A 542 66.555 12.684 64.338 1.00 21.53 C ATOM 2084 CG GLU A 542 67.865 13.468 64.333 1.00 26.87 C ATOM 2085 CD GLU A 542 67.853 14.669 63.409 1.00 31.38 C ATOM 2086 OE1 GLU A 542 66.805 14.946 62.795 1.00 30.39 O ATOM 2087 OE2 GLU A 542 68.902 15.342 63.302 1.00 35.08 O ATOM 2088 H GLU A 542 67.677 10.418 63.890 1.00 0.00 H ATOM 2089 N MET A 543 64.590 10.195 64.839 1.00 17.27 N ATOM 2090 CA MET A 543 63.257 9.631 65.088 1.00 21.61 C ATOM 2091 C MET A 543 63.262 8.849 66.395 1.00 25.31 C ATOM 2092 O MET A 543 62.298 8.876 67.167 1.00 25.97 O ATOM 2093 CB MET A 543 62.808 8.707 63.942 1.00 23.76 C ATOM 2094 CG MET A 543 62.761 9.359 62.568 1.00 28.66 C ATOM 2095 SD MET A 543 61.524 10.660 62.429 1.00 34.82 S ATOM 2096 CE MET A 543 60.045 9.718 62.074 1.00 27.72 C ATOM 2097 H MET A 543 65.114 9.902 63.990 1.00 0.00 H ATOM 2098 N LEU A 544 64.366 8.148 66.626 1.00 22.12 N ATOM 2099 CA LEU A 544 64.550 7.355 67.828 1.00 22.70 C ATOM 2100 C LEU A 544 64.744 8.271 69.028 1.00 24.57 C ATOM 2101 O LEU A 544 64.199 8.028 70.106 1.00 25.82 O ATOM 2102 CB LEU A 544 65.748 6.417 67.651 1.00 20.89 C ATOM 2103 CG LEU A 544 66.213 5.517 68.793 1.00 23.79 C ATOM 2104 CD1 LEU A 544 65.108 4.569 69.223 1.00 21.21 C ATOM 2105 CD2 LEU A 544 67.445 4.740 68.351 1.00 23.84 C ATOM 2106 H LEU A 544 65.128 8.168 65.919 1.00 0.00 H ATOM 2107 N ASP A 545 65.507 9.341 68.823 1.00 22.57 N ATOM 2108 CA ASP A 545 65.807 10.299 69.884 1.00 27.11 C ATOM 2109 C ASP A 545 64.581 11.072 70.368 1.00 26.25 C ATOM 2110 O ASP A 545 64.547 11.543 71.509 1.00 25.54 O ATOM 2111 CB ASP A 545 66.864 11.295 69.412 1.00 35.27 C ATOM 2112 CG ASP A 545 67.333 12.210 70.521 1.00 44.94 C ATOM 2113 OD1 ASP A 545 67.659 11.697 71.612 1.00 46.57 O ATOM 2114 OD2 ASP A 545 67.364 13.442 70.309 1.00 52.09 O ATOM 2115 H ASP A 545 65.904 9.501 67.875 1.00 0.00 H ATOM 2116 N ALA A 546 63.584 11.217 69.498 1.00 25.83 N ATOM 2117 CA ALA A 546 62.353 11.917 69.858 1.00 26.83 C ATOM 2118 C ALA A 546 61.618 11.166 70.963 1.00 26.13 C ATOM 2119 O ALA A 546 60.782 11.735 71.672 1.00 27.65 O ATOM 2120 CB ALA A 546 61.451 12.088 68.636 1.00 24.52 C ATOM 2121 H ALA A 546 63.683 10.823 68.541 1.00 0.00 H ATOM 2122 N HIS A 547 61.949 9.886 71.104 1.00 22.24 N ATOM 2123 CA HIS A 547 61.339 9.034 72.113 1.00 26.71 C ATOM 2124 C HIS A 547 62.195 8.948 73.369 1.00 27.08 C ATOM 2125 O HIS A 547 61.711 8.536 74.420 1.00 28.38 O ATOM 2126 CB HIS A 547 61.091 7.637 71.540 1.00 24.30 C ATOM 2127 CG HIS A 547 59.929 7.580 70.598 1.00 21.28 C ATOM 2128 ND1 HIS A 547 58.686 7.121 70.980 1.00 24.28 N ATOM 2129 CD2 HIS A 547 59.810 7.957 69.303 1.00 20.14 C ATOM 2130 CE1 HIS A 547 57.854 7.205 69.956 1.00 24.79 C ATOM 2131 NE2 HIS A 547 58.510 7.712 68.927 1.00 22.25 N ATOM 2132 H HIS A 547 62.668 9.480 70.472 1.00 0.00 H TER 2133 HIS A 547 HETATM 2134 O HOH 1 62.121 -3.303 76.438 1.00 38.46 O HETATM 2135 O HOH 2 70.216 -1.046 47.245 1.00 41.70 O HETATM 2136 O HOH 3 55.631 15.150 49.273 1.00 36.09 O HETATM 2137 O HOH 4 49.139 22.879 63.676 1.00 24.32 O HETATM 2138 O HOH 5 33.757 3.285 49.452 1.00 46.38 O HETATM 2139 O HOH 6 30.056 8.130 63.187 1.00 25.07 O HETATM 2140 O HOH 7 73.137 -7.436 71.312 1.00 35.90 O HETATM 2141 O HOH 8 70.764 -15.893 54.200 1.00 33.64 O HETATM 2142 O HOH 9 58.326 5.003 72.284 1.00 31.29 O HETATM 2143 O HOH 10 64.381 14.329 62.312 1.00 21.48 O HETATM 2144 O HOH 11 69.623 17.571 62.294 1.00 35.30 O HETATM 2145 O HOH 12 29.886 7.869 50.251 1.00 42.18 O HETATM 2146 O HOH 13 48.008 3.518 68.801 1.00 23.06 O HETATM 2147 O HOH 14 46.069 5.599 55.649 1.00 22.97 O HETATM 2148 O HOH 15 62.874 -7.570 73.655 1.00 33.30 O HETATM 2149 O HOH 16 56.943 -18.087 63.186 1.00 28.70 O HETATM 2150 O HOH 17 35.579 9.709 66.408 1.00 16.90 O HETATM 2151 O HOH 18 36.348 -4.891 51.463 1.00 39.70 O HETATM 2152 O HOH 19 24.341 -8.056 68.394 1.00 41.54 O HETATM 2153 O HOH 20 69.157 8.696 68.852 1.00 35.20 O HETATM 2154 O HOH 21 43.027 1.760 71.477 1.00 18.82 O HETATM 2155 O HOH 22 48.131 -0.993 50.490 1.00 42.70 O HETATM 2156 O HOH 23 58.672 2.458 76.539 1.00 35.63 O HETATM 2157 O HOH 24 59.881 -21.457 67.208 1.00 33.24 O HETATM 2158 O HOH 25 62.654 13.443 64.007 1.00 27.60 O HETATM 2159 O HOH 26 58.610 27.743 65.960 1.00 34.28 O HETATM 2160 O HOH 27 78.220 0.937 72.523 1.00 18.36 O HETATM 2161 O HOH 28 58.383 -4.019 52.274 1.00 20.24 O HETATM 2162 O HOH 29 40.740 -6.352 68.741 1.00 25.80 O HETATM 2163 O HOH 30 47.241 16.575 54.126 1.00 24.85 O HETATM 2164 O HOH 31 72.969 -6.393 52.089 1.00 37.17 O HETATM 2165 O HOH 32 77.471 -10.432 59.337 1.00 35.97 O HETATM 2166 O HOH 33 75.166 2.712 67.328 1.00 22.48 O HETATM 2167 O HOH 34 46.689 5.304 52.964 1.00 19.17 O HETATM 2168 O HOH 35 54.284 19.262 54.825 1.00 24.32 O HETATM 2169 O HOH 36 23.841 -8.201 65.205 1.00 31.76 O HETATM 2170 O HOH 37 76.034 -8.232 67.010 1.00 30.64 O HETATM 2171 O HOH 38 25.280 2.874 60.446 1.00 30.47 O HETATM 2172 O HOH 39 55.789 4.332 70.271 1.00 19.51 O HETATM 2173 O HOH 40 31.915 13.977 60.765 1.00 33.46 O HETATM 2174 O HOH 41 25.671 0.799 66.647 1.00 16.65 O HETATM 2175 O HOH 42 39.801 18.079 55.846 1.00 52.91 O HETATM 2176 O HOH 43 35.389 15.935 67.968 1.00 39.38 O HETATM 2177 O HOH 44 34.115 15.618 61.593 1.00 29.99 O HETATM 2178 O HOH 45 55.806 4.969 66.831 1.00 12.72 O HETATM 2179 O HOH 46 64.539 -13.648 49.687 1.00 34.74 O HETATM 2180 O HOH 47 48.832 4.338 45.987 1.00 39.98 O HETATM 2181 O HOH 48 53.639 5.917 69.709 1.00 21.61 O HETATM 2182 O HOH 49 58.944 17.251 68.183 1.00 36.97 O HETATM 2183 O HOH 50 32.548 -1.838 52.400 1.00 32.18 O HETATM 2184 O HOH 51 52.014 8.466 49.109 1.00 29.57 O HETATM 2185 O HOH 52 41.792 -8.908 53.678 1.00 35.28 O HETATM 2186 O HOH 53 52.757 -15.166 68.466 1.00 24.24 O HETATM 2187 O HOH 54 65.544 -13.047 69.842 1.00 22.42 O HETATM 2188 O HOH 55 57.466 -14.421 73.289 1.00 35.92 O HETATM 2189 O HOH 56 38.663 7.997 64.616 1.00 21.82 O HETATM 2190 O HOH 57 64.747 14.139 67.297 1.00 32.15 O HETATM 2191 O HOH 58 59.589 -10.870 44.668 1.00 33.86 O HETATM 2192 O HOH 59 24.392 -3.192 56.749 1.00 29.75 O HETATM 2193 O HOH 60 68.998 -7.304 47.978 1.00 38.57 O HETATM 2194 O HOH 61 76.587 4.342 69.475 1.00 24.71 O HETATM 2195 O HOH 62 74.354 8.232 60.976 1.00 32.24 O HETATM 2196 O HOH 63 54.062 -17.934 53.294 1.00 37.03 O HETATM 2197 O HOH 64 28.985 6.510 59.032 1.00 31.49 O HETATM 2198 O HOH 65 33.359 16.057 64.283 1.00 35.27 O HETATM 2199 O HOH 66 59.363 2.921 74.204 1.00 30.39 O HETATM 2200 O HOH 67 74.091 -11.476 56.342 1.00 33.54 O HETATM 2201 O HOH 68 62.436 4.319 47.646 1.00 18.45 O HETATM 2202 O HOH 69 68.914 -5.909 73.783 1.00 35.84 O HETATM 2203 O HOH 70 51.635 0.455 55.111 1.00 20.08 O HETATM 2204 O HOH 71 60.801 -14.370 49.919 1.00 42.80 O HETATM 2205 O HOH 72 52.879 13.652 48.925 1.00 25.84 O HETATM 2206 O HOH 73 75.391 -12.626 65.319 1.00 34.34 O HETATM 2207 O HOH 74 67.600 -17.975 57.365 1.00 37.66 O HETATM 2208 O HOH 75 49.895 12.155 72.487 1.00 26.68 O HETATM 2209 O HOH 76 67.041 -3.702 53.632 1.00 19.24 O HETATM 2210 O HOH 77 37.790 12.848 67.502 1.00 34.09 O HETATM 2211 O HOH 78 26.028 -9.634 59.091 1.00 37.01 O HETATM 2212 O HOH 79 60.157 14.437 71.333 1.00 33.94 O HETATM 2213 O HOH 80 41.936 11.174 69.858 1.00 36.69 O HETATM 2214 O HOH 81 34.446 -3.716 56.196 1.00 37.11 O HETATM 2215 O HOH 82 71.383 1.262 55.582 1.00 42.12 O HETATM 2216 O HOH 83 67.463 -10.466 47.848 1.00 35.14 O HETATM 2217 O HOH 84 52.811 -19.137 55.776 1.00 35.98 O HETATM 2218 O HOH 85 21.022 -3.379 61.637 1.00 24.61 O HETATM 2219 O HOH 86 54.887 -0.620 52.190 1.00 24.10 O HETATM 2220 O HOH 87 66.561 0.057 75.682 1.00 24.95 O HETATM 2221 O HOH 88 55.785 -0.951 56.816 1.00 14.31 O HETATM 2222 O HOH 89 74.931 6.354 70.218 1.00 29.77 O HETATM 2223 O HOH 90 50.964 10.581 65.994 1.00 12.96 O HETATM 2224 O HOH 91 51.731 -13.518 59.911 1.00 20.23 O HETATM 2225 O HOH 92 47.021 5.793 67.896 1.00 20.05 O HETATM 2226 O HOH 93 57.888 19.333 66.620 1.00 32.78 O HETATM 2227 O HOH 94 51.852 4.673 55.036 1.00 18.49 O HETATM 2228 O HOH 95 39.023 11.810 47.269 1.00 39.03 O HETATM 2229 O HOH 96 30.838 -8.739 66.328 1.00 31.37 O HETATM 2230 O HOH 97 66.025 -12.906 72.974 1.00 39.82 O HETATM 2231 O HOH 98 61.936 -4.337 74.051 1.00 25.70 O HETATM 2232 O HOH 99 54.751 -16.754 67.595 1.00 27.03 O HETATM 2233 O HOH 100 72.843 -5.914 56.459 1.00 22.15 O HETATM 2234 O HOH 101 52.198 22.222 55.194 1.00 34.53 O HETATM 2235 O HOH 102 29.729 10.429 53.497 1.00 38.78 O HETATM 2236 O HOH 103 63.152 5.617 49.997 1.00 20.63 O HETATM 2237 O HOH 104 45.834 1.167 47.719 1.00 29.45 O HETATM 2238 O HOH 105 49.770 17.392 50.137 1.00 40.81 O HETATM 2239 O HOH 106 48.910 -18.053 63.457 1.00 41.96 O HETATM 2240 O HOH 107 57.277 -1.592 52.380 1.00 20.54 O HETATM 2241 O HOH 108 79.424 -12.748 49.257 1.00 41.01 O HETATM 2242 O HOH 109 34.391 -10.332 56.954 1.00 46.34 O HETATM 2243 O HOH 110 79.735 -3.134 71.291 1.00 25.29 O HETATM 2244 O HOH 111 54.176 -1.507 45.643 1.00 36.85 O HETATM 2245 O HOH 112 55.184 -7.490 75.943 1.00 38.24 O HETATM 2246 O HOH 113 23.322 0.415 59.126 1.00 32.10 O HETATM 2247 O HOH 114 56.246 -11.635 73.275 1.00 32.54 O HETATM 2248 O HOH 115 75.307 5.623 62.733 1.00 34.94 O HETATM 2249 O HOH 116 72.598 -12.022 54.516 1.00 37.94 O HETATM 2250 O HOH 117 67.640 14.942 67.829 1.00 44.14 O HETATM 2251 O HOH 118 77.991 -5.014 65.010 1.00 13.72 O HETATM 2252 O HOH 119 33.816 -8.088 63.392 1.00 26.57 O HETATM 2253 O HOH 120 69.604 3.297 59.035 1.00 28.79 O HETATM 2254 O HOH 121 27.309 -10.904 65.365 1.00 38.33 O HETATM 2255 O HOH 122 56.084 3.884 53.899 1.00 18.44 O HETATM 2256 O HOH 123 57.624 13.815 69.353 1.00 36.76 O HETATM 2257 O HOH 124 53.777 1.167 56.751 1.00 19.32 O HETATM 2258 O HOH 125 63.011 -14.254 52.426 1.00 30.04 O HETATM 2259 O HOH 126 56.317 -4.118 45.285 1.00 34.88 O HETATM 2260 O HOH 127 69.347 10.238 57.314 1.00 24.50 O HETATM 2261 O HOH 128 55.762 7.593 47.776 1.00 35.78 O HETATM 2262 O HOH 129 40.941 -6.307 51.254 1.00 31.87 O HETATM 2263 O HOH 130 54.347 7.419 49.513 1.00 33.03 O HETATM 2264 O HOH 131 68.251 3.109 53.986 1.00 33.79 O HETATM 2265 O HOH 132 47.281 -8.751 53.057 1.00 36.41 O HETATM 2266 O HOH 133 36.367 -10.200 68.162 1.00 40.30 O HETATM 2267 O HOH 134 72.310 9.344 57.418 1.00 31.86 O HETATM 2268 O HOH 135 67.804 8.739 55.360 1.00 39.32 O HETATM 2269 O HOH 136 65.474 -9.420 45.624 1.00 40.03 O HETATM 2270 O HOH 137 19.858 -7.029 71.084 1.00 39.35 O HETATM 2271 O HOH 138 61.748 -23.175 69.040 1.00 43.73 O HETATM 2272 O HOH 139 72.395 7.763 74.346 1.00 44.47 O HETATM 2273 O HOH 140 76.509 -9.749 64.863 1.00 21.20 O HETATM 2274 O HOH 141 62.768 10.842 76.151 1.00 39.37 O HETATM 2275 O HOH 142 31.202 -7.427 64.141 1.00 24.07 O HETATM 2276 O HOH 143 77.465 -9.954 47.836 1.00 51.62 O HETATM 2277 O HOH 144 71.460 -9.770 54.095 1.00 34.29 O HETATM 2278 O HOH 145 57.038 -12.188 48.146 1.00 43.64 O HETATM 2279 O HOH 146 26.218 -8.873 66.956 1.00 34.02 O HETATM 2280 O HOH 147 63.507 1.494 47.550 1.00 11.63 O HETATM 2281 O HOH 148 51.777 -11.519 49.526 1.00 45.96 O HETATM 2282 O HOH 149 37.349 -11.022 52.433 1.00 44.25 O HETATM 2283 O HOH 150 31.854 16.109 45.331 1.00 57.31 O HETATM 2284 O HOH 151 62.923 -11.806 73.154 1.00 27.97 O HETATM 2285 O HOH 152 54.091 20.628 68.563 1.00 41.45 O HETATM 2286 O HOH 153 57.847 8.569 73.648 1.00 38.95 O HETATM 2287 O HOH 154 52.448 10.273 46.992 1.00 47.18 O HETATM 2288 O HOH 155 51.608 -9.042 50.864 1.00 39.42 O HETATM 2289 O HOH 156 77.451 -13.253 58.738 1.00 38.06 O HETATM 2290 O HOH 157 64.016 -15.936 54.546 1.00 39.56 O HETATM 2291 O HOH 158 75.270 -4.120 59.855 1.00 40.23 O HETATM 2292 O HOH 159 50.767 -15.076 61.950 1.00 28.96 O HETATM 2293 O HOH 160 67.314 -6.576 46.394 1.00 43.09 O HETATM 2294 O HOH 161 75.395 12.114 63.317 1.00 52.18 O HETATM 2295 O HOH 162 42.880 23.206 66.604 1.00 48.61 O HETATM 2296 O HOH 163 34.411 21.459 55.365 1.00 58.13 O HETATM 2297 O HOH 164 52.486 -1.856 53.436 1.00 31.99 O HETATM 2298 O HOH 165 57.912 11.565 70.133 1.00 34.72 O HETATM 2299 O HOH 166 61.591 -12.261 46.272 1.00 37.75 O HETATM 2300 O HOH 167 60.402 20.618 64.250 1.00 22.89 O HETATM 2301 O HOH 168 60.991 -1.198 80.338 1.00 43.90 O HETATM 2302 O HOH 169 44.024 20.824 65.867 1.00 42.55 O HETATM 2303 O HOH 170 25.801 -11.744 59.941 1.00 41.42 O HETATM 2304 O HOH 171 37.271 21.174 54.580 1.00 56.88 O HETATM 2305 O HOH 172 45.639 19.059 71.770 1.00 46.31 O HETATM 2306 O HOH 173 72.643 5.950 77.038 1.00 41.02 O HETATM 2307 O HOH 174 43.740 25.464 55.723 1.00 56.55 O HETATM 2308 O HOH 175 35.082 -10.671 62.701 1.00 38.67 O HETATM 2309 O HOH 176 74.635 4.179 65.387 1.00 34.34 O HETATM 2310 O HOH 177 72.400 9.976 68.860 1.00 46.79 O HETATM 2311 O HOH 178 55.707 -8.515 44.616 1.00 50.65 O HETATM 2312 O HOH 179 72.073 -3.594 55.031 1.00 35.48 O HETATM 2313 O HOH 180 51.482 -16.918 64.069 1.00 39.61 O HETATM 2314 O HOH 181 23.096 -9.827 63.654 1.00 39.06 O HETATM 2315 O HOH 182 38.208 9.089 66.915 1.00 20.95 O HETATM 2316 O HOH 183 32.912 15.889 68.988 1.00 44.00 O HETATM 2317 O HOH 184 68.276 17.512 66.179 1.00 53.30 O HETATM 2318 O HOH 185 23.704 -11.033 61.012 1.00 38.78 O HETATM 2319 O HOH 186 66.661 -3.969 46.205 1.00 27.95 O HETATM 2320 O HOH 187 37.868 -6.686 71.019 1.00 30.48 O HETATM 2321 O HOH 188 66.391 7.392 76.853 1.00 48.13 O HETATM 2322 O HOH 189 27.030 4.859 57.805 1.00 35.62 O HETATM 2323 O HOH 190 61.313 27.232 66.822 1.00 33.59 O HETATM 2324 O HOH 191 38.159 19.221 69.998 1.00 54.84 O HETATM 2325 O HOH 192 70.266 3.200 56.168 1.00 40.21 O HETATM 2326 O HOH 193 74.759 7.570 67.674 1.00 36.41 O HETATM 2327 O HOH 194 35.210 -2.723 53.791 1.00 34.19 O HETATM 2328 O HOH 195 21.870 -1.959 58.815 1.00 38.25 O HETATM 2329 O HOH 196 50.857 -2.562 52.099 1.00 40.54 O HETATM 2330 O HOH 197 21.589 -5.939 73.433 1.00 42.30 O HETATM 2331 O HOH 198 56.119 -19.141 52.728 1.00 49.38 O HETATM 2332 O HOH 199 34.033 -6.281 56.096 1.00 36.32 O HETATM 2333 O HOH 200 79.353 -13.219 46.314 1.00 46.35 O HETATM 2334 O HOH 201 71.433 -9.890 45.402 1.00 43.65 O HETATM 2335 O HOH 202 70.795 -16.490 63.168 1.00 44.71 O HETATM 2336 O HOH 203 53.345 12.332 46.766 1.00 35.92 O HETATM 2337 O HOH 204 55.966 10.823 71.154 1.00 34.38 O HETATM 2338 O HOH 205 51.285 15.876 48.431 1.00 35.72 O HETATM 2339 O HOH 206 57.651 -21.841 65.579 1.00 40.71 O HETATM 2340 O HOH 207 73.406 -7.869 54.496 1.00 32.40 O HETATM 2341 O HOH 208 55.919 -21.121 66.733 1.00 43.18 O HETATM 2342 O HOH 209 54.774 -18.261 65.156 1.00 35.12 O HETATM 2343 O HOH 210 76.917 -14.637 64.028 1.00 39.38 O HETATM 2344 O HOH 211 54.387 3.732 55.742 1.00 18.88 O HETATM 2345 O HOH 212 61.640 10.339 78.811 1.00 47.99 O HETATM 2346 O HOH 213 63.279 -11.204 45.064 1.00 39.50 O HETATM 2347 O HOH 214 55.049 -10.940 48.310 1.00 33.55 O HETATM 2348 O HOH 215 54.616 -7.378 46.349 1.00 42.94 O HETATM 2349 O HOH 216 50.139 19.771 49.758 1.00 50.26 O HETATM 2350 O HOH 217 53.912 -7.858 48.442 1.00 41.53 O HETATM 2351 O HOH 218 62.630 24.882 56.470 1.00 39.66 O HETATM 2352 O HOH 219 68.019 24.075 60.354 1.00 48.77 O HETATM 2353 O HOH 220 60.127 24.621 51.936 1.00 36.24 O HETATM 2354 O HOH 221 60.163 19.669 66.886 1.00 42.35 O HETATM 2355 O HOH 222 64.547 22.643 58.086 1.00 38.92 O HETATM 2356 O HOH 223 60.293 14.203 51.228 1.00 36.58 O HETATM 2357 O HOH 224 62.302 14.175 49.990 1.00 44.57 O HETATM 2358 O HOH 225 63.085 21.331 64.346 1.00 35.91 O HETATM 2359 O HOH 226 69.465 18.491 60.066 1.00 42.09 O HETATM 2360 O HOH 227 61.799 16.246 70.561 1.00 44.01 O HETATM 2361 O HOH 228 65.923 20.877 66.415 1.00 39.66 O HETATM 2362 O HOH 229 63.286 28.935 66.310 1.00 44.64 O HETATM 2363 C ACE A 230 68.380 22.518 63.334 1.00 0.18 C HETATM 2364 O ACE A 230 69.417 23.135 63.166 1.00 -0.40 O HETATM 2365 CH3 ACE A 230 68.231 21.579 64.507 1.00 0.03 C HETATM 2366 H1 ACE A 230 67.231 21.120 64.485 1.00 0.05 H HETATM 2367 H2 ACE A 230 68.356 22.141 65.445 1.00 0.05 H HETATM 2368 H3 ACE A 230 68.997 20.792 64.446 1.00 0.05 H HETATM 2369 N ACE A 230 67.339 22.678 62.531 1.00 -0.26 N HETATM 2370 CA ACE A 230 66.060 21.985 62.704 1.00 0.14 C HETATM 2371 C ACE A 230 66.235 20.502 62.306 1.00 0.21 C HETATM 2372 O ACE A 230 67.137 20.153 61.590 1.00 -0.39 O HETATM 2373 N ACE A 230 65.411 19.664 62.892 1.00 -0.26 N HETATM 2374 CA ACE A 230 65.367 18.253 62.632 1.00 0.13 C HETATM 2375 C ACE A 230 65.349 17.945 61.144 1.00 0.20 C HETATM 2376 O ACE A 230 64.784 18.675 60.374 1.00 -0.39 O HETATM 2377 N ACE A 230 65.924 16.818 60.799 1.00 -0.26 N HETATM 2378 CA ACE A 230 65.941 16.437 59.398 1.00 0.13 C HETATM 2379 C ACE A 230 64.517 16.174 58.874 1.00 0.20 C HETATM 2380 O ACE A 230 64.248 16.415 57.742 1.00 -0.39 O HETATM 2381 N ACE A 230 63.651 15.685 59.727 1.00 -0.26 N HETATM 2382 CA ACE A 230 62.241 15.416 59.352 1.00 0.13 C HETATM 2383 C ACE A 230 61.609 16.736 58.937 1.00 0.20 C HETATM 2384 O ACE A 230 60.850 16.821 58.025 1.00 -0.39 O HETATM 2385 N ACE A 230 61.923 17.732 59.699 1.00 -0.26 N HETATM 2386 CA ACE A 230 61.390 19.079 59.439 1.00 0.14 C HETATM 2387 C ACE A 230 61.711 19.499 57.996 1.00 0.21 C HETATM 2388 O ACE A 230 60.912 19.980 57.281 1.00 -0.39 O HETATM 2389 N ACE A 230 62.895 19.175 57.573 1.00 -0.26 N HETATM 2390 CA ACE A 230 63.319 19.400 56.211 1.00 0.14 C HETATM 2391 C ACE A 230 62.670 18.575 55.324 1.00 0.21 C HETATM 2392 O ACE A 230 62.179 19.038 54.321 1.00 -0.39 O HETATM 2393 N ACE A 230 62.557 17.215 55.491 1.00 -0.26 N HETATM 2394 CA ACE A 230 61.873 16.360 54.511 1.00 0.13 C HETATM 2395 C ACE A 230 60.511 16.668 54.336 1.00 0.20 C HETATM 2396 O ACE A 230 59.942 16.379 53.299 1.00 -0.39 O HETATM 2397 N ACE A 230 59.804 17.293 55.339 1.00 -0.26 N HETATM 2398 CA ACE A 230 58.380 17.617 55.154 1.00 0.13 C HETATM 2399 C ACE A 230 58.168 18.606 54.196 1.00 0.20 C HETATM 2400 O ACE A 230 57.072 18.853 53.737 1.00 -0.39 O HETATM 2401 N ACE A 230 59.267 19.284 53.715 1.00 -0.26 N HETATM 2402 CA ACE A 230 59.190 20.396 52.719 1.00 0.13 C HETATM 2403 C ACE A 230 59.619 20.072 51.419 1.00 0.20 C HETATM 2404 O ACE A 230 59.044 20.405 50.406 1.00 -0.39 O HETATM 2405 N ACE A 230 60.742 19.395 51.263 1.00 -0.26 N HETATM 2406 CA ACE A 230 61.383 19.124 49.969 1.00 0.15 C HETATM 2407 C ACE A 230 60.746 18.051 49.363 1.00 0.21 C HETATM 2408 O ACE A 230 60.861 16.913 49.800 1.00 -0.39 O HETATM 2409 N ACE A 230 59.934 18.440 48.377 1.00 -0.26 N HETATM 2410 CA ACE A 230 59.002 17.621 47.616 1.00 0.15 C HETATM 2411 C ACE A 230 57.681 18.367 47.875 1.00 0.20 C HETATM 2412 O ACE A 230 56.896 18.645 46.979 1.00 -0.39 O HETATM 2413 N ACE A 230 57.459 18.682 49.146 1.00 -0.30 N HETATM 2414 H101 ACE A 230 56.623 19.168 49.402 1.00 0.18 H HETATM 2415 H102 ACE A 230 58.127 18.433 49.847 1.00 0.18 H HETATM 2416 CB ACE A 230 58.830 16.197 48.169 1.00 0.08 C HETATM 2417 OG ACE A 230 59.681 15.145 47.641 1.00 -0.39 O HETATM 2418 H100 ACE A 230 60.591 15.363 47.805 1.00 0.21 H HETATM 2419 H98 ACE A 230 57.788 15.898 47.981 1.00 0.06 H HETATM 2420 H99 ACE A 230 59.007 16.245 49.254 1.00 0.06 H HETATM 2421 H97 ACE A 230 59.273 17.586 46.551 1.00 0.08 H HETATM 2422 H96 ACE A 230 59.971 19.409 48.132 1.00 0.19 H HETATM 2423 CB ACE A 230 62.891 18.990 50.108 1.00 0.08 C HETATM 2424 CG ACE A 230 63.421 19.820 51.096 1.00 0.18 C HETATM 2425 NZ ACE A 230 64.628 19.464 51.656 1.00 -0.28 N HETATM 2426 CE ACE A 230 65.141 20.291 52.768 1.00 0.05 C HETATM 2427 CD ACE A 230 65.062 19.316 53.954 1.00 -0.08 C HETATM 2428 CG ACE A 230 65.451 19.890 55.204 1.00 -0.09 C HETATM 2429 CB ACE A 230 64.770 19.111 56.220 1.00 0.00 C HETATM 2430 H55 ACE A 230 64.927 18.041 56.021 1.00 0.04 H HETATM 2431 H56 ACE A 230 65.183 19.364 57.207 1.00 0.04 H HETATM 2432 H57 ACE A 230 66.119 20.736 55.361 1.00 0.05 H HETATM 2433 H58 ACE A 230 64.739 18.281 53.851 1.00 0.05 H HETATM 2434 H59 ACE A 230 66.177 20.612 52.583 1.00 0.06 H HETATM 2435 H60 ACE A 230 64.507 21.175 52.934 1.00 0.06 H HETATM 2436 H61 ACE A 230 65.140 18.673 51.321 1.00 0.19 H HETATM 2437 OD1 ACE A 230 62.834 20.836 51.484 1.00 -0.40 O HETATM 2438 H94 ACE A 230 63.357 19.249 49.145 1.00 0.06 H HETATM 2439 H95 ACE A 230 63.129 17.946 50.362 1.00 0.06 H HETATM 2440 H93 ACE A 230 61.210 19.999 49.325 1.00 0.08 H HETATM 2441 H92 ACE A 230 61.188 19.041 52.085 1.00 0.19 H HETATM 2442 CB ACE A 230 60.051 21.536 53.239 1.00 0.00 C HETATM 2443 CG ACE A 230 59.688 21.904 54.688 1.00 0.04 C HETATM 2444 CD ACE A 230 60.482 23.094 55.211 1.00 0.17 C HETATM 2445 OE1 ACE A 230 60.321 24.193 54.753 1.00 -0.40 O HETATM 2446 NE2 ACE A 230 61.347 22.836 56.127 1.00 -0.30 N HETATM 2447 H90 ACE A 230 61.901 23.573 56.513 1.00 0.18 H HETATM 2448 H91 ACE A 230 61.465 21.898 56.453 1.00 0.18 H HETATM 2449 H88 ACE A 230 59.890 21.036 55.332 1.00 0.05 H HETATM 2450 H89 ACE A 230 58.617 22.150 54.730 1.00 0.05 H HETATM 2451 H86 ACE A 230 59.901 22.418 52.599 1.00 0.03 H HETATM 2452 H87 ACE A 230 61.107 21.231 53.202 1.00 0.03 H HETATM 2453 H85 ACE A 230 58.143 20.726 52.657 1.00 0.08 H HETATM 2454 H84 ACE A 230 60.169 19.016 54.052 1.00 0.19 H HETATM 2455 CB ACE A 230 57.787 17.987 56.499 1.00 -0.01 C HETATM 2456 CG ACE A 230 57.471 16.691 57.207 1.00 -0.04 C HETATM 2457 CD1 ACE A 230 57.308 16.910 58.675 1.00 -0.06 C HETATM 2458 H78 ACE A 230 57.079 15.952 59.165 1.00 0.02 H HETATM 2459 H79 ACE A 230 56.485 17.618 58.851 1.00 0.02 H HETATM 2460 H80 ACE A 230 58.240 17.321 59.090 1.00 0.02 H HETATM 2461 CD2 ACE A 230 56.175 16.148 56.670 1.00 -0.06 C HETATM 2462 H81 ACE A 230 56.269 15.978 55.587 1.00 0.02 H HETATM 2463 H82 ACE A 230 55.368 16.872 56.858 1.00 0.02 H HETATM 2464 H83 ACE A 230 55.940 15.198 57.172 1.00 0.02 H HETATM 2465 H77 ACE A 230 58.283 15.970 57.030 1.00 0.03 H HETATM 2466 H75 ACE A 230 56.868 18.576 56.359 1.00 0.03 H HETATM 2467 H76 ACE A 230 58.512 18.572 57.085 1.00 0.03 H HETATM 2468 H74 ACE A 230 57.872 16.708 54.798 1.00 0.08 H HETATM 2469 H73 ACE A 230 60.260 17.528 56.197 1.00 0.19 H HETATM 2470 CB ACE A 230 62.077 14.891 54.864 1.00 -0.01 C HETATM 2471 CG ACE A 230 63.559 14.608 54.843 1.00 -0.04 C HETATM 2472 CD1 ACE A 230 63.881 13.355 55.587 1.00 -0.06 C HETATM 2473 H67 ACE A 230 64.966 13.177 55.553 1.00 0.02 H HETATM 2474 H68 ACE A 230 63.356 12.507 55.122 1.00 0.02 H HETATM 2475 H69 ACE A 230 63.559 13.457 56.634 1.00 0.02 H HETATM 2476 CD2 ACE A 230 64.036 14.439 53.413 1.00 -0.06 C HETATM 2477 H70 ACE A 230 63.810 15.351 52.841 1.00 0.02 H HETATM 2478 H71 ACE A 230 63.522 13.582 52.954 1.00 0.02 H HETATM 2479 H72 ACE A 230 65.122 14.262 53.407 1.00 0.02 H HETATM 2480 H66 ACE A 230 64.088 15.452 55.309 1.00 0.03 H HETATM 2481 H64 ACE A 230 61.565 14.255 54.127 1.00 0.03 H HETATM 2482 H65 ACE A 230 61.672 14.688 55.867 1.00 0.03 H HETATM 2483 H63 ACE A 230 62.361 16.534 53.541 1.00 0.08 H HETATM 2484 H62 ACE A 230 62.953 16.794 56.307 1.00 0.19 H HETATM 2485 H54 ACE A 230 63.137 20.447 55.925 1.00 0.08 H HETATM 2486 H53 ACE A 230 63.537 18.754 58.214 1.00 0.19 H HETATM 2487 CB ACE A 230 61.979 20.036 60.451 1.00 0.04 C HETATM 2488 CG ACE A 230 61.445 21.413 60.251 1.00 0.06 C HETATM 2489 ND1 ACE A 230 61.962 22.250 59.414 1.00 -0.26 N HETATM 2490 CE1 ACE A 230 61.247 23.342 59.508 1.00 0.09 C HETATM 2491 NE2 ACE A 230 60.310 23.157 60.407 1.00 -0.34 N HETATM 2492 CD2 ACE A 230 60.437 21.948 60.886 1.00 -0.03 C HETATM 2493 H51 ACE A 230 59.827 21.481 61.658 1.00 0.03 H HETATM 2494 H52 ACE A 230 61.404 24.254 58.934 1.00 0.11 H HETATM 2495 H50 ACE A 230 62.772 22.090 58.798 1.00 0.24 H HETATM 2496 H48 ACE A 230 63.073 20.053 60.337 1.00 0.05 H HETATM 2497 H49 ACE A 230 61.721 19.693 61.464 1.00 0.05 H HETATM 2498 H47 ACE A 230 60.297 19.064 59.562 1.00 0.08 H HETATM 2499 H46 ACE A 230 62.536 17.585 60.475 1.00 0.19 H HETATM 2500 CB ACE A 230 61.543 14.952 60.598 1.00 -0.01 C HETATM 2501 CG ACE A 230 60.435 13.978 60.405 1.00 -0.04 C HETATM 2502 CD1 ACE A 230 59.554 13.930 61.600 1.00 -0.06 C HETATM 2503 H40 ACE A 230 58.745 13.204 61.430 1.00 0.02 H HETATM 2504 H41 ACE A 230 59.121 14.926 61.777 1.00 0.02 H HETATM 2505 H42 ACE A 230 60.143 13.625 62.478 1.00 0.02 H HETATM 2506 CD2 ACE A 230 59.606 14.299 59.207 1.00 -0.06 C HETATM 2507 H43 ACE A 230 60.249 14.337 58.316 1.00 0.02 H HETATM 2508 H44 ACE A 230 59.118 15.275 59.349 1.00 0.02 H HETATM 2509 H45 ACE A 230 58.839 13.522 59.073 1.00 0.02 H HETATM 2510 H39 ACE A 230 60.881 12.983 60.260 1.00 0.03 H HETATM 2511 H37 ACE A 230 61.127 15.838 61.100 1.00 0.03 H HETATM 2512 H38 ACE A 230 62.295 14.481 61.248 1.00 0.03 H HETATM 2513 H36 ACE A 230 62.173 14.669 58.548 1.00 0.08 H HETATM 2514 H35 ACE A 230 63.950 15.487 60.660 1.00 0.19 H HETATM 2515 CB ACE A 230 67.001 15.405 58.953 1.00 -0.00 C HETATM 2516 CG1 ACE A 230 68.056 15.118 60.002 1.00 -0.05 C HETATM 2517 CD1 ACE A 230 69.074 14.176 59.440 1.00 -0.06 C HETATM 2518 H32 ACE A 230 69.840 13.967 60.201 1.00 0.02 H HETATM 2519 H33 ACE A 230 69.548 14.632 58.558 1.00 0.02 H HETATM 2520 H34 ACE A 230 68.582 13.236 59.148 1.00 0.02 H HETATM 2521 H27 ACE A 230 67.582 14.662 60.884 1.00 0.03 H HETATM 2522 H28 ACE A 230 68.548 16.058 60.294 1.00 0.03 H HETATM 2523 CG2 ACE A 230 66.461 14.175 58.287 1.00 -0.06 C HETATM 2524 H29 ACE A 230 65.704 14.463 57.542 1.00 0.02 H HETATM 2525 H30 ACE A 230 66.001 13.521 59.042 1.00 0.02 H HETATM 2526 H31 ACE A 230 67.281 13.638 57.788 1.00 0.02 H HETATM 2527 H26 ACE A 230 67.551 15.920 58.151 1.00 0.03 H HETATM 2528 H25 ACE A 230 66.255 17.355 58.880 1.00 0.08 H HETATM 2529 H24 ACE A 230 66.344 16.230 61.490 1.00 0.19 H HETATM 2530 CB ACE A 230 64.064 17.739 63.212 1.00 -0.01 C HETATM 2531 CG ACE A 230 63.937 18.044 64.698 1.00 -0.04 C HETATM 2532 CD ACE A 230 62.692 17.458 65.294 1.00 -0.01 C HETATM 2533 CE ACE A 230 62.822 17.445 66.781 1.00 -0.04 C HETATM 2534 NZ ACE A 230 61.567 17.199 67.462 1.00 0.22 N HETATM 2535 H21 ACE A 230 61.719 17.202 68.458 1.00 0.20 H HETATM 2536 H22 ACE A 230 61.202 16.302 67.181 1.00 0.20 H HETATM 2537 H23 ACE A 230 60.907 17.921 67.221 1.00 0.20 H HETATM 2538 H19 ACE A 230 63.211 18.421 67.106 1.00 0.08 H HETATM 2539 H20 ACE A 230 63.533 16.655 67.063 1.00 0.08 H HETATM 2540 H17 ACE A 230 62.556 16.430 64.927 1.00 0.03 H HETATM 2541 H18 ACE A 230 61.823 18.068 65.005 1.00 0.03 H HETATM 2542 H15 ACE A 230 63.915 19.135 64.835 1.00 0.03 H HETATM 2543 H16 ACE A 230 64.810 17.626 65.221 1.00 0.03 H HETATM 2544 H13 ACE A 230 64.018 16.649 63.069 1.00 0.03 H HETATM 2545 H14 ACE A 230 63.227 18.215 62.680 1.00 0.03 H HETATM 2546 H12 ACE A 230 66.228 17.759 63.105 1.00 0.08 H HETATM 2547 H11 ACE A 230 64.771 20.034 63.565 1.00 0.19 H HETATM 2548 CB ACE A 230 64.920 22.699 61.953 1.00 0.04 C HETATM 2549 CG ACE A 230 64.460 24.027 62.591 1.00 0.06 C HETATM 2550 ND1 ACE A 230 64.745 25.241 62.126 1.00 -0.26 N HETATM 2551 CE1 ACE A 230 64.180 26.109 62.923 1.00 0.09 C HETATM 2552 NE2 ACE A 230 63.545 25.438 63.848 1.00 -0.34 N HETATM 2553 CD2 ACE A 230 63.702 24.135 63.661 1.00 -0.03 C HETATM 2554 H9 ACE A 230 63.291 23.327 64.264 1.00 0.03 H HETATM 2555 H10 ACE A 230 64.229 27.193 62.833 1.00 0.11 H HETATM 2556 H8 ACE A 230 65.308 25.457 61.291 1.00 0.24 H HETATM 2557 H6 ACE A 230 64.056 22.019 61.916 1.00 0.05 H HETATM 2558 H7 ACE A 230 65.264 22.911 60.930 1.00 0.05 H HETATM 2559 H5 ACE A 230 65.804 22.011 63.773 1.00 0.08 H HETATM 2560 H4 ACE A 230 67.432 23.309 61.761 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1411 1412 1416 1417 1418 CONECT 1416 1411 CONECT 1417 1411 CONECT 1418 1411 CONECT 2363 2364 2365 2369 CONECT 2364 2363 CONECT 2365 2363 2366 2367 2368 CONECT 2366 2365 CONECT 2367 2365 CONECT 2368 2365 CONECT 2369 2363 2370 2560 CONECT 2370 2369 2371 2548 2559 CONECT 2371 2370 2372 2373 CONECT 2372 2371 CONECT 2373 2371 2374 2547 CONECT 2374 2373 2375 2530 2546 CONECT 2375 2374 2376 2377 CONECT 2376 2375 CONECT 2377 2375 2378 2529 CONECT 2378 2377 2379 2515 2528 CONECT 2379 2378 2380 2381 CONECT 2380 2379 CONECT 2381 2379 2382 2514 CONECT 2382 2381 2383 2500 2513 CONECT 2383 2382 2384 2385 CONECT 2384 2383 CONECT 2385 2383 2386 2499 CONECT 2386 2385 2387 2487 2498 CONECT 2387 2386 2388 2389 CONECT 2388 2387 CONECT 2389 2387 2390 2486 CONECT 2390 2389 2391 2429 2485 CONECT 2391 2390 2392 2393 CONECT 2392 2391 CONECT 2393 2391 2394 2484 CONECT 2394 2393 2395 2470 2483 CONECT 2395 2394 2396 2397 CONECT 2396 2395 CONECT 2397 2395 2398 2469 CONECT 2398 2397 2399 2455 2468 CONECT 2399 2398 2400 2401 CONECT 2400 2399 CONECT 2401 2399 2402 2454 CONECT 2402 2401 2403 2442 2453 CONECT 2403 2402 2404 2405 CONECT 2404 2403 CONECT 2405 2403 2406 2441 CONECT 2406 2405 2407 2423 2440 CONECT 2407 2406 2408 2409 CONECT 2408 2407 CONECT 2409 2407 2410 2422 CONECT 2410 2409 2411 2416 2421 CONECT 2411 2410 2412 2413 CONECT 2412 2411 CONECT 2413 2411 2414 2415 CONECT 2414 2413 CONECT 2415 2413 CONECT 2416 2410 2417 2419 2420 CONECT 2417 2416 2418 CONECT 2418 2417 CONECT 2419 2416 CONECT 2420 2416 CONECT 2421 2410 CONECT 2422 2409 CONECT 2423 2406 2424 2438 2439 CONECT 2424 2423 2425 2437 CONECT 2425 2424 2426 2436 CONECT 2426 2425 2427 2434 2435 CONECT 2427 2426 2428 2433 CONECT 2428 2427 2429 2432 CONECT 2429 2390 2428 2430 2431 CONECT 2430 2429 CONECT 2431 2429 CONECT 2432 2428 CONECT 2433 2427 CONECT 2434 2426 CONECT 2435 2426 CONECT 2436 2425 CONECT 2437 2424 CONECT 2438 2423 CONECT 2439 2423 CONECT 2440 2406 CONECT 2441 2405 CONECT 2442 2402 2443 2451 2452 CONECT 2443 2442 2444 2449 2450 CONECT 2444 2443 2445 2446 CONECT 2445 2444 CONECT 2446 2444 2447 2448 CONECT 2447 2446 CONECT 2448 2446 CONECT 2449 2443 CONECT 2450 2443 CONECT 2451 2442 CONECT 2452 2442 CONECT 2453 2402 CONECT 2454 2401 CONECT 2455 2398 2456 2466 2467 CONECT 2456 2455 2457 2461 2465 CONECT 2457 2456 2458 2459 2460 CONECT 2458 2457 CONECT 2459 2457 CONECT 2460 2457 CONECT 2461 2456 2462 2463 2464 CONECT 2462 2461 CONECT 2463 2461 CONECT 2464 2461 CONECT 2465 2456 CONECT 2466 2455 CONECT 2467 2455 CONECT 2468 2398 CONECT 2469 2397 CONECT 2470 2394 2471 2481 2482 CONECT 2471 2470 2472 2476 2480 CONECT 2472 2471 2473 2474 2475 CONECT 2473 2472 CONECT 2474 2472 CONECT 2475 2472 CONECT 2476 2471 2477 2478 2479 CONECT 2477 2476 CONECT 2478 2476 CONECT 2479 2476 CONECT 2480 2471 CONECT 2481 2470 CONECT 2482 2470 CONECT 2483 2394 CONECT 2484 2393 CONECT 2485 2390 CONECT 2486 2389 CONECT 2487 2386 2488 2496 2497 CONECT 2488 2487 2489 2492 CONECT 2489 2488 2490 2495 CONECT 2490 2489 2491 2494 CONECT 2491 2490 2492 CONECT 2492 2488 2491 2493 CONECT 2493 2492 CONECT 2494 2490 CONECT 2495 2489 CONECT 2496 2487 CONECT 2497 2487 CONECT 2498 2386 CONECT 2499 2385 CONECT 2500 2382 2501 2511 2512 CONECT 2501 2500 2502 2506 2510 CONECT 2502 2501 2503 2504 2505 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2501 2507 2508 2509 CONECT 2507 2506 CONECT 2508 2506 CONECT 2509 2506 CONECT 2510 2501 CONECT 2511 2500 CONECT 2512 2500 CONECT 2513 2382 CONECT 2514 2381 CONECT 2515 2378 2516 2523 2527 CONECT 2516 2515 2517 2521 2522 CONECT 2517 2516 2518 2519 2520 CONECT 2518 2517 CONECT 2519 2517 CONECT 2520 2517 CONECT 2521 2516 CONECT 2522 2516 CONECT 2523 2515 2524 2525 2526 CONECT 2524 2523 CONECT 2525 2523 CONECT 2526 2523 CONECT 2527 2515 CONECT 2528 2378 CONECT 2529 2377 CONECT 2530 2374 2531 2544 2545 CONECT 2531 2530 2532 2542 2543 CONECT 2532 2531 2533 2540 2541 CONECT 2533 2532 2534 2538 2539 CONECT 2534 2533 2535 2536 2537 CONECT 2535 2534 CONECT 2536 2534 CONECT 2537 2534 CONECT 2538 2533 CONECT 2539 2533 CONECT 2540 2532 CONECT 2541 2532 CONECT 2542 2531 CONECT 2543 2531 CONECT 2544 2530 CONECT 2545 2530 CONECT 2546 2374 CONECT 2547 2373 CONECT 2548 2370 2549 2557 2558 CONECT 2549 2548 2550 2553 CONECT 2550 2549 2551 2556 CONECT 2551 2550 2552 2555 CONECT 2552 2551 2553 CONECT 2553 2549 2552 2554 CONECT 2554 2553 CONECT 2555 2551 CONECT 2556 2550 CONECT 2557 2548 CONECT 2558 2548 CONECT 2559 2370 CONECT 2560 2369 MASTER 0 0 0 0 0 0 0 0 2558 2 206 18 END
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13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
5wgd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Estrogen receptor
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.078uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Org. Biomol. Chem. Vol. 16: pp. 3702-3706
Ligand Properties
Formula
C
6
2
H
1
0
2
N
1
9
O
1
5
Molecular Weight
1353.590
Exact Mass
1352.780
No. of atoms
198
No. of bonds
200
Polar Surface Area
540.61
LOGP Value
-2.07 (
Computed with XLOGP3
)
0.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1C/C=C/CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)CC(C)C)CCC(=O)N)C(=O)N[C@H](C(=O)N)CO)Cc1[nH]cnc1)CC(C)C)[C@@H](CC)C)NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)C
InChI String
InChI=1S/C62H101N19O15/c1-10-35(8)51(81-55(89)40(15-11-13-19-63)73-59(93)45(71-36(9)83)24-37-27-66-30-69-37)62(96)79-44(23-34(6)7)58(92)77-46(25-38-28-67-31-70-38)60(94)72-39-16-12-14-20-68-50(85)26-47(61(95)80-48(29-82)52(65)86)78-54(88)41(17-18-49(64)84)74-56(90)42(21-32(2)3)76-57(91)43(22-33(4)5)75-53(39)87/h12,14,27-28,30-35,39-48,51,82H,10-11,13,15-26,29,63H2,1-9H3,(H2,64,84)(H2,65,86)(H,66,69)(H,67,70)(H,68,85)(H,71,83)(H,72,94)(H,73,93)(H,74,90)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,96)(H,80,95)(H,81,89)/p+1/b14-12+/t35-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,51+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03372
Entrez Gene ID
NCBI Entrez Gene ID:
2099
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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